data_6786 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6786 _Entry.Title ; 1H, 13C and 15N resonance assignment of an oxidized form (Cys51-Cys198) of methionine sulfoxide reductase A from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-22 _Entry.Accession_date 2005-08-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nicolas Coudevylle . . . 6786 2 Mathias Antoine . . . 6786 3 Sandrine Boschi-Muller . . . 6786 4 Guy Branlant . . . 6786 5 Manh-Thong Cung . . . 6786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 6786 '15N chemical shifts' 172 6786 '1H chemical shifts' 753 6786 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2005-08-22 update BMRB 'complete entry citation' 6786 1 . . 2006-03-10 2005-08-22 original author 'original release' 6786 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2IEM 'BMRB Entry Tracking System' 6786 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6786 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16505957 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Resonance Assignment of an Oxidized form Cys(51)-Cys(198) of Methionine Sulfoxide Reductase A from Escherichia Coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 19 _Citation.Page_last 19 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicolas Coudevylle . . . 6786 1 2 Mathias Antoine . . . 6786 1 3 Sandrine Boschi-Muller . . . 6786 1 4 Guy Branlant . . . 6786 1 5 Manh-Thong Cung . . . 6786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6786 _Assembly.ID 1 _Assembly.Name MsrA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MsrA 1 $MsrA . . yes native no no . . . 6786 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 51 51 SG . 1 . 1 CYS 198 198 SG . . . . . . . . . . 6786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MsrA _Entity.Sf_category entity _Entity.Sf_framecode MsrA _Entity.Entry_ID 6786 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MsrA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLFDKKHLVSPADALPGRNT PMPVATLHAVNGHSMTNVPD GMEIAIFAMGCFWGVERLFW QLPGVYSTAAGYTGGYTPNP TYREVSSGDTGHAEAVRIVY DPSVISYEQLLQVFWENHDP AQGMRQGNDHGTQYRSAIYP LTPEQDAAARASLERFQAAM LAADDDRHITTEIANATPFY YAEDDHQQYLHKNPYGYCGI GGIGVSLPPEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6090 . MsrA . . . . . 100.00 211 99.05 99.05 1.09e-153 . . . . 6786 1 2 no PDB 1FF3 . "Structure Of The Peptide Methionine Sulfoxide Reductase From Escherichia Coli" . . . . . 100.00 211 98.58 98.58 5.53e-152 . . . . 6786 1 3 no PDB 2GT3 . "Solution Structure And Dynamics Of The Reduced Form Of Methionine Sulfoxide Reductase A From Escherichia Coli, A 23 Kda Protein" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 4 no PDB 2IEM . "Solution Structure Of An Oxidized Form (Cys51-Cys198) Of E. Coli Methionine Sulfoxide Reductase A (Msra)" . . . . . 100.00 211 100.00 100.00 4.27e-155 . . . . 6786 1 5 no DBJ BAB38620 . "peptide methionine sulfoxide reductase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 212 98.58 98.58 3.04e-152 . . . . 6786 1 6 no DBJ BAE78220 . "methionine sulfoxide reductase A [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 7 no DBJ BAG80049 . "peptide methionine sulfoxide reductase [Escherichia coli SE11]" . . . . . 100.00 212 98.10 98.10 1.14e-151 . . . . 6786 1 8 no DBJ BAI28524 . "methionine sulfoxide reductase A [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 9 no DBJ BAI33698 . "methionine sulfoxide reductase A [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 10 no EMBL CAP78740 . "Peptide methionine sulfoxide reductase msrA [Escherichia coli LF82]" . . . . . 100.00 212 98.10 98.10 1.69e-151 . . . . 6786 1 11 no EMBL CAQ34570 . "methionine sulfoxide reductase A [Escherichia coli BL21(DE3)]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 12 no EMBL CAR01194 . "methionine sulfoxide reductase A [Escherichia coli IAI1]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 13 no EMBL CAR05961 . "methionine sulfoxide reductase A [Escherichia coli S88]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 14 no EMBL CAR11177 . "methionine sulfoxide reductase A [Escherichia coli ED1a]" . . . . . 100.00 212 98.58 98.58 1.25e-152 . . . . 6786 1 15 no GB AAA24399 . "peptide methionine sulfoxide reductase [Escherichia coli]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 16 no GB AAA97115 . "peptide methionine sulfoxide reductase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 17 no GB AAC77176 . "methionine sulfoxide reductase A [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 18 no GB AAG59417 . "peptide methionine sulfoxide reductase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 212 98.58 98.58 3.04e-152 . . . . 6786 1 19 no GB AAN45686 . "peptide methionine sulfoxide reductase [Shigella flexneri 2a str. 301]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 20 no REF NP_290851 . "methionine sulfoxide reductase A [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 212 98.58 98.58 3.04e-152 . . . . 6786 1 21 no REF NP_313224 . "methionine sulfoxide reductase A [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 212 98.58 98.58 3.04e-152 . . . . 6786 1 22 no REF NP_418640 . "methionine sulfoxide reductase A [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 23 no REF NP_709979 . "methionine sulfoxide reductase A [Shigella flexneri 2a str. 301]" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 24 no REF NP_757164 . "methionine sulfoxide reductase A [Escherichia coli CFT073]" . . . . . 100.00 234 98.10 98.10 1.20e-151 . . . . 6786 1 25 no SP A7ZV98 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 26 no SP A8A7X5 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 27 no SP B1ISY2 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 28 no SP B1LRA3 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 98.10 98.10 1.02e-151 . . . . 6786 1 29 no SP B1XDW8 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 99.05 99.05 1.08e-153 . . . . 6786 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 6786 1 2 . LEU . 6786 1 3 . PHE . 6786 1 4 . ASP . 6786 1 5 . LYS . 6786 1 6 . LYS . 6786 1 7 . HIS . 6786 1 8 . LEU . 6786 1 9 . VAL . 6786 1 10 . SER . 6786 1 11 . PRO . 6786 1 12 . ALA . 6786 1 13 . ASP . 6786 1 14 . ALA . 6786 1 15 . LEU . 6786 1 16 . PRO . 6786 1 17 . GLY . 6786 1 18 . ARG . 6786 1 19 . ASN . 6786 1 20 . THR . 6786 1 21 . PRO . 6786 1 22 . MET . 6786 1 23 . PRO . 6786 1 24 . VAL . 6786 1 25 . ALA . 6786 1 26 . THR . 6786 1 27 . LEU . 6786 1 28 . HIS . 6786 1 29 . ALA . 6786 1 30 . VAL . 6786 1 31 . ASN . 6786 1 32 . GLY . 6786 1 33 . HIS . 6786 1 34 . SER . 6786 1 35 . MET . 6786 1 36 . THR . 6786 1 37 . ASN . 6786 1 38 . VAL . 6786 1 39 . PRO . 6786 1 40 . ASP . 6786 1 41 . GLY . 6786 1 42 . MET . 6786 1 43 . GLU . 6786 1 44 . ILE . 6786 1 45 . ALA . 6786 1 46 . ILE . 6786 1 47 . PHE . 6786 1 48 . ALA . 6786 1 49 . MET . 6786 1 50 . GLY . 6786 1 51 . CYS . 6786 1 52 . PHE . 6786 1 53 . TRP . 6786 1 54 . GLY . 6786 1 55 . VAL . 6786 1 56 . GLU . 6786 1 57 . ARG . 6786 1 58 . LEU . 6786 1 59 . PHE . 6786 1 60 . TRP . 6786 1 61 . GLN . 6786 1 62 . LEU . 6786 1 63 . PRO . 6786 1 64 . GLY . 6786 1 65 . VAL . 6786 1 66 . TYR . 6786 1 67 . SER . 6786 1 68 . THR . 6786 1 69 . ALA . 6786 1 70 . ALA . 6786 1 71 . GLY . 6786 1 72 . TYR . 6786 1 73 . THR . 6786 1 74 . GLY . 6786 1 75 . GLY . 6786 1 76 . TYR . 6786 1 77 . THR . 6786 1 78 . PRO . 6786 1 79 . ASN . 6786 1 80 . PRO . 6786 1 81 . THR . 6786 1 82 . TYR . 6786 1 83 . ARG . 6786 1 84 . GLU . 6786 1 85 . VAL . 6786 1 86 . SER . 6786 1 87 . SER . 6786 1 88 . GLY . 6786 1 89 . ASP . 6786 1 90 . THR . 6786 1 91 . GLY . 6786 1 92 . HIS . 6786 1 93 . ALA . 6786 1 94 . GLU . 6786 1 95 . ALA . 6786 1 96 . VAL . 6786 1 97 . ARG . 6786 1 98 . ILE . 6786 1 99 . VAL . 6786 1 100 . TYR . 6786 1 101 . ASP . 6786 1 102 . PRO . 6786 1 103 . SER . 6786 1 104 . VAL . 6786 1 105 . ILE . 6786 1 106 . SER . 6786 1 107 . TYR . 6786 1 108 . GLU . 6786 1 109 . GLN . 6786 1 110 . LEU . 6786 1 111 . LEU . 6786 1 112 . GLN . 6786 1 113 . VAL . 6786 1 114 . PHE . 6786 1 115 . TRP . 6786 1 116 . GLU . 6786 1 117 . ASN . 6786 1 118 . HIS . 6786 1 119 . ASP . 6786 1 120 . PRO . 6786 1 121 . ALA . 6786 1 122 . GLN . 6786 1 123 . GLY . 6786 1 124 . MET . 6786 1 125 . ARG . 6786 1 126 . GLN . 6786 1 127 . GLY . 6786 1 128 . ASN . 6786 1 129 . ASP . 6786 1 130 . HIS . 6786 1 131 . GLY . 6786 1 132 . THR . 6786 1 133 . GLN . 6786 1 134 . TYR . 6786 1 135 . ARG . 6786 1 136 . SER . 6786 1 137 . ALA . 6786 1 138 . ILE . 6786 1 139 . TYR . 6786 1 140 . PRO . 6786 1 141 . LEU . 6786 1 142 . THR . 6786 1 143 . PRO . 6786 1 144 . GLU . 6786 1 145 . GLN . 6786 1 146 . ASP . 6786 1 147 . ALA . 6786 1 148 . ALA . 6786 1 149 . ALA . 6786 1 150 . ARG . 6786 1 151 . ALA . 6786 1 152 . SER . 6786 1 153 . LEU . 6786 1 154 . GLU . 6786 1 155 . ARG . 6786 1 156 . PHE . 6786 1 157 . GLN . 6786 1 158 . ALA . 6786 1 159 . ALA . 6786 1 160 . MET . 6786 1 161 . LEU . 6786 1 162 . ALA . 6786 1 163 . ALA . 6786 1 164 . ASP . 6786 1 165 . ASP . 6786 1 166 . ASP . 6786 1 167 . ARG . 6786 1 168 . HIS . 6786 1 169 . ILE . 6786 1 170 . THR . 6786 1 171 . THR . 6786 1 172 . GLU . 6786 1 173 . ILE . 6786 1 174 . ALA . 6786 1 175 . ASN . 6786 1 176 . ALA . 6786 1 177 . THR . 6786 1 178 . PRO . 6786 1 179 . PHE . 6786 1 180 . TYR . 6786 1 181 . TYR . 6786 1 182 . ALA . 6786 1 183 . GLU . 6786 1 184 . ASP . 6786 1 185 . ASP . 6786 1 186 . HIS . 6786 1 187 . GLN . 6786 1 188 . GLN . 6786 1 189 . TYR . 6786 1 190 . LEU . 6786 1 191 . HIS . 6786 1 192 . LYS . 6786 1 193 . ASN . 6786 1 194 . PRO . 6786 1 195 . TYR . 6786 1 196 . GLY . 6786 1 197 . TYR . 6786 1 198 . CYS . 6786 1 199 . GLY . 6786 1 200 . ILE . 6786 1 201 . GLY . 6786 1 202 . GLY . 6786 1 203 . ILE . 6786 1 204 . GLY . 6786 1 205 . VAL . 6786 1 206 . SER . 6786 1 207 . LEU . 6786 1 208 . PRO . 6786 1 209 . PRO . 6786 1 210 . GLU . 6786 1 211 . ALA . 6786 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6786 1 . LEU 2 2 6786 1 . PHE 3 3 6786 1 . ASP 4 4 6786 1 . LYS 5 5 6786 1 . LYS 6 6 6786 1 . HIS 7 7 6786 1 . LEU 8 8 6786 1 . VAL 9 9 6786 1 . SER 10 10 6786 1 . PRO 11 11 6786 1 . ALA 12 12 6786 1 . ASP 13 13 6786 1 . ALA 14 14 6786 1 . LEU 15 15 6786 1 . PRO 16 16 6786 1 . GLY 17 17 6786 1 . ARG 18 18 6786 1 . ASN 19 19 6786 1 . THR 20 20 6786 1 . PRO 21 21 6786 1 . MET 22 22 6786 1 . PRO 23 23 6786 1 . VAL 24 24 6786 1 . ALA 25 25 6786 1 . THR 26 26 6786 1 . LEU 27 27 6786 1 . HIS 28 28 6786 1 . ALA 29 29 6786 1 . VAL 30 30 6786 1 . ASN 31 31 6786 1 . GLY 32 32 6786 1 . HIS 33 33 6786 1 . SER 34 34 6786 1 . MET 35 35 6786 1 . THR 36 36 6786 1 . ASN 37 37 6786 1 . VAL 38 38 6786 1 . PRO 39 39 6786 1 . ASP 40 40 6786 1 . GLY 41 41 6786 1 . MET 42 42 6786 1 . GLU 43 43 6786 1 . ILE 44 44 6786 1 . ALA 45 45 6786 1 . ILE 46 46 6786 1 . PHE 47 47 6786 1 . ALA 48 48 6786 1 . MET 49 49 6786 1 . GLY 50 50 6786 1 . CYS 51 51 6786 1 . PHE 52 52 6786 1 . TRP 53 53 6786 1 . GLY 54 54 6786 1 . VAL 55 55 6786 1 . GLU 56 56 6786 1 . ARG 57 57 6786 1 . LEU 58 58 6786 1 . PHE 59 59 6786 1 . TRP 60 60 6786 1 . GLN 61 61 6786 1 . LEU 62 62 6786 1 . PRO 63 63 6786 1 . GLY 64 64 6786 1 . VAL 65 65 6786 1 . TYR 66 66 6786 1 . SER 67 67 6786 1 . THR 68 68 6786 1 . ALA 69 69 6786 1 . ALA 70 70 6786 1 . GLY 71 71 6786 1 . TYR 72 72 6786 1 . THR 73 73 6786 1 . GLY 74 74 6786 1 . GLY 75 75 6786 1 . TYR 76 76 6786 1 . THR 77 77 6786 1 . PRO 78 78 6786 1 . ASN 79 79 6786 1 . PRO 80 80 6786 1 . THR 81 81 6786 1 . TYR 82 82 6786 1 . ARG 83 83 6786 1 . GLU 84 84 6786 1 . VAL 85 85 6786 1 . SER 86 86 6786 1 . SER 87 87 6786 1 . GLY 88 88 6786 1 . ASP 89 89 6786 1 . THR 90 90 6786 1 . GLY 91 91 6786 1 . HIS 92 92 6786 1 . ALA 93 93 6786 1 . GLU 94 94 6786 1 . ALA 95 95 6786 1 . VAL 96 96 6786 1 . ARG 97 97 6786 1 . ILE 98 98 6786 1 . VAL 99 99 6786 1 . TYR 100 100 6786 1 . ASP 101 101 6786 1 . PRO 102 102 6786 1 . SER 103 103 6786 1 . VAL 104 104 6786 1 . ILE 105 105 6786 1 . SER 106 106 6786 1 . TYR 107 107 6786 1 . GLU 108 108 6786 1 . GLN 109 109 6786 1 . LEU 110 110 6786 1 . LEU 111 111 6786 1 . GLN 112 112 6786 1 . VAL 113 113 6786 1 . PHE 114 114 6786 1 . TRP 115 115 6786 1 . GLU 116 116 6786 1 . ASN 117 117 6786 1 . HIS 118 118 6786 1 . ASP 119 119 6786 1 . PRO 120 120 6786 1 . ALA 121 121 6786 1 . GLN 122 122 6786 1 . GLY 123 123 6786 1 . MET 124 124 6786 1 . ARG 125 125 6786 1 . GLN 126 126 6786 1 . GLY 127 127 6786 1 . ASN 128 128 6786 1 . ASP 129 129 6786 1 . HIS 130 130 6786 1 . GLY 131 131 6786 1 . THR 132 132 6786 1 . GLN 133 133 6786 1 . TYR 134 134 6786 1 . ARG 135 135 6786 1 . SER 136 136 6786 1 . ALA 137 137 6786 1 . ILE 138 138 6786 1 . TYR 139 139 6786 1 . PRO 140 140 6786 1 . LEU 141 141 6786 1 . THR 142 142 6786 1 . PRO 143 143 6786 1 . GLU 144 144 6786 1 . GLN 145 145 6786 1 . ASP 146 146 6786 1 . ALA 147 147 6786 1 . ALA 148 148 6786 1 . ALA 149 149 6786 1 . ARG 150 150 6786 1 . ALA 151 151 6786 1 . SER 152 152 6786 1 . LEU 153 153 6786 1 . GLU 154 154 6786 1 . ARG 155 155 6786 1 . PHE 156 156 6786 1 . GLN 157 157 6786 1 . ALA 158 158 6786 1 . ALA 159 159 6786 1 . MET 160 160 6786 1 . LEU 161 161 6786 1 . ALA 162 162 6786 1 . ALA 163 163 6786 1 . ASP 164 164 6786 1 . ASP 165 165 6786 1 . ASP 166 166 6786 1 . ARG 167 167 6786 1 . HIS 168 168 6786 1 . ILE 169 169 6786 1 . THR 170 170 6786 1 . THR 171 171 6786 1 . GLU 172 172 6786 1 . ILE 173 173 6786 1 . ALA 174 174 6786 1 . ASN 175 175 6786 1 . ALA 176 176 6786 1 . THR 177 177 6786 1 . PRO 178 178 6786 1 . PHE 179 179 6786 1 . TYR 180 180 6786 1 . TYR 181 181 6786 1 . ALA 182 182 6786 1 . GLU 183 183 6786 1 . ASP 184 184 6786 1 . ASP 185 185 6786 1 . HIS 186 186 6786 1 . GLN 187 187 6786 1 . GLN 188 188 6786 1 . TYR 189 189 6786 1 . LEU 190 190 6786 1 . HIS 191 191 6786 1 . LYS 192 192 6786 1 . ASN 193 193 6786 1 . PRO 194 194 6786 1 . TYR 195 195 6786 1 . GLY 196 196 6786 1 . TYR 197 197 6786 1 . CYS 198 198 6786 1 . GLY 199 199 6786 1 . ILE 200 200 6786 1 . GLY 201 201 6786 1 . GLY 202 202 6786 1 . ILE 203 203 6786 1 . GLY 204 204 6786 1 . VAL 205 205 6786 1 . SER 206 206 6786 1 . LEU 207 207 6786 1 . PRO 208 208 6786 1 . PRO 209 209 6786 1 . GLU 210 210 6786 1 . ALA 211 211 6786 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6786 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MsrA . 562 organism no . 'Escherichia coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6786 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6786 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MsrA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6786 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6786 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MsrA '[U-13C; U-15N]' . . 1 $MsrA . . 1 . . mM 0.1 . . . 6786 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6786 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.1 0.1 pH 6786 1 temperature 298 0.1 K 6786 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 6786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600MHz save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6786 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H_15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 3 HNCOCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 5 HNCACO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 6 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 7 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 9 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 6786 1 stop_ save_ save_1H_15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_15N_HSQC _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H 15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCOCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCOCA _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 6786 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6786 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6786 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6786 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6786 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H_15N_HSQC 1 $sample_1 isotropic 6786 1 2 HNCA 1 $sample_1 isotropic 6786 1 3 HNCOCA 1 $sample_1 isotropic 6786 1 4 HNCO 1 $sample_1 isotropic 6786 1 5 HNCACO 1 $sample_1 isotropic 6786 1 6 CBCANH 1 $sample_1 isotropic 6786 1 7 CBCACONH 1 $sample_1 isotropic 6786 1 8 HCCH-TOCSY 1 $sample_1 isotropic 6786 1 9 HNHA 1 $sample_1 isotropic 6786 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU CA C 13 56.182 0.100 . 1 . . . . 2 LEU CA . 6786 1 2 . 1 1 2 2 LEU CB C 13 42.818 0.100 . 1 . . . . 2 LEU CB . 6786 1 3 . 1 1 2 2 LEU CG C 13 27.787 0.100 . 1 . . . . 2 LEU CG . 6786 1 4 . 1 1 2 2 LEU CD1 C 13 25.696 0.100 . 1 . . . . 2 LEU CD1 . 6786 1 5 . 1 1 3 3 PHE H H 1 8.141 0.010 . 1 . . . . 3 PHE HN . 6786 1 6 . 1 1 3 3 PHE HA H 1 4.438 0.010 . 1 . . . . 3 PHE HA . 6786 1 7 . 1 1 3 3 PHE HB2 H 1 3.010 0.010 . 1 . . . . 3 PHE HB . 6786 1 8 . 1 1 3 3 PHE HB3 H 1 3.010 0.010 . 1 . . . . 3 PHE HB . 6786 1 9 . 1 1 3 3 PHE C C 13 175.535 0.100 . 1 . . . . 3 PHE C . 6786 1 10 . 1 1 3 3 PHE CA C 13 58.585 0.100 . 1 . . . . 3 PHE CA . 6786 1 11 . 1 1 3 3 PHE CB C 13 39.686 0.100 . 1 . . . . 3 PHE CB . 6786 1 12 . 1 1 3 3 PHE N N 15 119.909 0.100 . 1 . . . . 3 PHE N . 6786 1 13 . 1 1 4 4 ASP H H 1 7.785 0.010 . 1 . . . . 4 ASP HN . 6786 1 14 . 1 1 4 4 ASP C C 13 176.470 0.100 . 1 . . . . 4 ASP C . 6786 1 15 . 1 1 4 4 ASP CA C 13 54.402 0.100 . 1 . . . . 4 ASP CA . 6786 1 16 . 1 1 4 4 ASP CB C 13 42.334 0.100 . 1 . . . . 4 ASP CB . 6786 1 17 . 1 1 4 4 ASP N N 15 122.548 0.100 . 1 . . . . 4 ASP N . 6786 1 18 . 1 1 5 5 LYS H H 1 8.229 0.010 . 1 . . . . 5 LYS HN . 6786 1 19 . 1 1 5 5 LYS HA H 1 4.082 0.010 . 1 . . . . 5 LYS HA . 6786 1 20 . 1 1 5 5 LYS HB2 H 1 1.981 0.010 . 1 . . . . 5 LYS HB . 6786 1 21 . 1 1 5 5 LYS HB3 H 1 1.981 0.010 . 1 . . . . 5 LYS HB . 6786 1 22 . 1 1 5 5 LYS HG2 H 1 1.658 0.010 . 1 . . . . 5 LYS HG . 6786 1 23 . 1 1 5 5 LYS HG3 H 1 1.658 0.010 . 1 . . . . 5 LYS HG . 6786 1 24 . 1 1 5 5 LYS C C 13 177.610 0.100 . 1 . . . . 5 LYS C . 6786 1 25 . 1 1 5 5 LYS CA C 13 57.495 0.100 . 1 . . . . 5 LYS CA . 6786 1 26 . 1 1 5 5 LYS CB C 13 33.236 0.100 . 1 . . . . 5 LYS CB . 6786 1 27 . 1 1 5 5 LYS CG C 13 25.774 0.100 . 1 . . . . 5 LYS CG . 6786 1 28 . 1 1 5 5 LYS CD C 13 29.825 0.100 . 1 . . . . 5 LYS CD . 6786 1 29 . 1 1 5 5 LYS CE C 13 42.544 0.100 . 1 . . . . 5 LYS CE . 6786 1 30 . 1 1 5 5 LYS N N 15 122.460 0.100 . 1 . . . . 5 LYS N . 6786 1 31 . 1 1 6 6 LYS H H 1 8.377 0.010 . 1 . . . . 6 LYS HN . 6786 1 32 . 1 1 6 6 LYS HA H 1 4.545 0.010 . 1 . . . . 6 LYS HA . 6786 1 33 . 1 1 6 6 LYS C C 13 176.655 0.100 . 1 . . . . 6 LYS C . 6786 1 34 . 1 1 6 6 LYS CA C 13 56.980 0.100 . 1 . . . . 6 LYS CA . 6786 1 35 . 1 1 6 6 LYS CB C 13 32.778 0.100 . 1 . . . . 6 LYS CB . 6786 1 36 . 1 1 6 6 LYS CG C 13 25.449 0.100 . 1 . . . . 6 LYS CG . 6786 1 37 . 1 1 6 6 LYS CD C 13 29.997 0.100 . 1 . . . . 6 LYS CD . 6786 1 38 . 1 1 6 6 LYS CE C 13 42.164 0.100 . 1 . . . . 6 LYS CE . 6786 1 39 . 1 1 6 6 LYS N N 15 120.834 0.100 . 1 . . . . 6 LYS N . 6786 1 40 . 1 1 7 7 HIS H H 1 7.959 0.010 . 1 . . . . 7 HIS HN . 6786 1 41 . 1 1 7 7 HIS HA H 1 4.540 0.010 . 1 . . . . 7 HIS HA . 6786 1 42 . 1 1 7 7 HIS HB2 H 1 2.911 0.010 . 1 . . . . 7 HIS HB . 6786 1 43 . 1 1 7 7 HIS HB3 H 1 2.911 0.010 . 1 . . . . 7 HIS HB . 6786 1 44 . 1 1 7 7 HIS C C 13 175.345 0.100 . 1 . . . . 7 HIS C . 6786 1 45 . 1 1 7 7 HIS CA C 13 55.984 0.100 . 1 . . . . 7 HIS CA . 6786 1 46 . 1 1 7 7 HIS CB C 13 31.488 0.100 . 1 . . . . 7 HIS CB . 6786 1 47 . 1 1 7 7 HIS N N 15 118.327 0.100 . 1 . . . . 7 HIS N . 6786 1 48 . 1 1 8 8 LEU H H 1 8.012 0.010 . 1 . . . . 8 LEU HN . 6786 1 49 . 1 1 8 8 LEU HA H 1 4.319 0.010 . 1 . . . . 8 LEU HA . 6786 1 50 . 1 1 8 8 LEU HB2 H 1 1.540 0.010 . 1 . . . . 8 LEU HB . 6786 1 51 . 1 1 8 8 LEU HB3 H 1 1.540 0.010 . 1 . . . . 8 LEU HB . 6786 1 52 . 1 1 8 8 LEU HD11 H 1 0.815 0.010 . 1 . . . . 8 LEU HD . 6786 1 53 . 1 1 8 8 LEU HD12 H 1 0.815 0.010 . 1 . . . . 8 LEU HD . 6786 1 54 . 1 1 8 8 LEU HD13 H 1 0.815 0.010 . 1 . . . . 8 LEU HD . 6786 1 55 . 1 1 8 8 LEU HD21 H 1 0.815 0.010 . 1 . . . . 8 LEU HD . 6786 1 56 . 1 1 8 8 LEU HD22 H 1 0.815 0.010 . 1 . . . . 8 LEU HD . 6786 1 57 . 1 1 8 8 LEU HD23 H 1 0.815 0.010 . 1 . . . . 8 LEU HD . 6786 1 58 . 1 1 8 8 LEU CA C 13 54.764 0.100 . 1 . . . . 8 LEU CA . 6786 1 59 . 1 1 8 8 LEU CB C 13 43.913 0.100 . 1 . . . . 8 LEU CB . 6786 1 60 . 1 1 8 8 LEU CG C 13 26.080 0.100 . 1 . . . . 8 LEU CG . 6786 1 61 . 1 1 8 8 LEU CD1 C 13 25.487 0.100 . 1 . . . . 8 LEU CD . 6786 1 62 . 1 1 8 8 LEU CD2 C 13 25.487 0.100 . 1 . . . . 8 LEU CD . 6786 1 63 . 1 1 8 8 LEU N N 15 121.963 0.100 . 1 . . . . 8 LEU N . 6786 1 64 . 1 1 9 9 VAL H H 1 7.799 0.010 . 1 . . . . 9 VAL HN . 6786 1 65 . 1 1 9 9 VAL HA H 1 4.001 0.010 . 1 . . . . 9 VAL HA . 6786 1 66 . 1 1 9 9 VAL HB H 1 2.089 0.010 . 1 . . . . 9 VAL HB . 6786 1 67 . 1 1 9 9 VAL HG11 H 1 0.931 0.010 . 1 . . . . 9 VAL HG1 . 6786 1 68 . 1 1 9 9 VAL HG12 H 1 0.931 0.010 . 1 . . . . 9 VAL HG1 . 6786 1 69 . 1 1 9 9 VAL HG13 H 1 0.931 0.010 . 1 . . . . 9 VAL HG1 . 6786 1 70 . 1 1 9 9 VAL HG21 H 1 0.700 0.010 . 1 . . . . 9 VAL HG2 . 6786 1 71 . 1 1 9 9 VAL HG22 H 1 0.700 0.010 . 1 . . . . 9 VAL HG2 . 6786 1 72 . 1 1 9 9 VAL HG23 H 1 0.700 0.010 . 1 . . . . 9 VAL HG2 . 6786 1 73 . 1 1 9 9 VAL C C 13 174.252 0.100 . 1 . . . . 9 VAL C . 6786 1 74 . 1 1 9 9 VAL CA C 13 62.011 0.100 . 1 . . . . 9 VAL CA . 6786 1 75 . 1 1 9 9 VAL CB C 13 32.979 0.100 . 1 . . . . 9 VAL CB . 6786 1 76 . 1 1 9 9 VAL CG1 C 13 20.331 0.100 . 1 . . . . 9 VAL CG1 . 6786 1 77 . 1 1 9 9 VAL CG2 C 13 21.269 0.100 . 1 . . . . 9 VAL CG2 . 6786 1 78 . 1 1 9 9 VAL N N 15 122.696 0.100 . 1 . . . . 9 VAL N . 6786 1 79 . 1 1 10 10 SER H H 1 8.488 0.010 . 1 . . . . 10 SER HN . 6786 1 80 . 1 1 10 10 SER HA H 1 4.547 0.010 . 1 . . . . 10 SER HA . 6786 1 81 . 1 1 10 10 SER HB2 H 1 3.758 0.010 . 1 . . . . 10 SER HB . 6786 1 82 . 1 1 10 10 SER HB3 H 1 3.758 0.010 . 1 . . . . 10 SER HB . 6786 1 83 . 1 1 10 10 SER C C 13 174.692 0.100 . 1 . . . . 10 SER C . 6786 1 84 . 1 1 10 10 SER CA C 13 56.560 0.100 . 1 . . . . 10 SER CA . 6786 1 85 . 1 1 10 10 SER CB C 13 63.558 0.100 . 1 . . . . 10 SER CB . 6786 1 86 . 1 1 10 10 SER N N 15 122.197 0.100 . 1 . . . . 10 SER N . 6786 1 87 . 1 1 11 11 PRO C C 13 178.930 0.100 . 1 . . . . 11 PRO C . 6786 1 88 . 1 1 11 11 PRO CA C 13 65.700 0.100 . 1 . . . . 11 PRO CA . 6786 1 89 . 1 1 11 11 PRO CB C 13 31.415 0.100 . 1 . . . . 11 PRO CB . 6786 1 90 . 1 1 11 11 PRO CG C 13 27.516 0.100 . 1 . . . . 11 PRO CG . 6786 1 91 . 1 1 11 11 PRO CD C 13 50.383 0.100 . 1 . . . . 11 PRO CD . 6786 1 92 . 1 1 12 12 ALA H H 1 7.563 0.010 . 1 . . . . 12 ALA HN . 6786 1 93 . 1 1 12 12 ALA HA H 1 3.928 0.010 . 1 . . . . 12 ALA HA . 6786 1 94 . 1 1 12 12 ALA HB1 H 1 1.228 0.010 . 1 . . . . 12 ALA HB . 6786 1 95 . 1 1 12 12 ALA HB2 H 1 1.228 0.010 . 1 . . . . 12 ALA HB . 6786 1 96 . 1 1 12 12 ALA HB3 H 1 1.228 0.010 . 1 . . . . 12 ALA HB . 6786 1 97 . 1 1 12 12 ALA C C 13 178.659 0.100 . 1 . . . . 12 ALA C . 6786 1 98 . 1 1 12 12 ALA CA C 13 54.213 0.100 . 1 . . . . 12 ALA CA . 6786 1 99 . 1 1 12 12 ALA CB C 13 19.331 0.100 . 1 . . . . 12 ALA CB . 6786 1 100 . 1 1 12 12 ALA N N 15 117.230 0.100 . 1 . . . . 12 ALA N . 6786 1 101 . 1 1 13 13 ASP H H 1 7.397 0.010 . 1 . . . . 13 ASP HN . 6786 1 102 . 1 1 13 13 ASP HA H 1 4.543 0.010 . 1 . . . . 13 ASP HA . 6786 1 103 . 1 1 13 13 ASP HB2 H 1 2.542 0.010 . 1 . . . . 13 ASP HB . 6786 1 104 . 1 1 13 13 ASP HB3 H 1 2.542 0.010 . 1 . . . . 13 ASP HB . 6786 1 105 . 1 1 13 13 ASP C C 13 175.668 0.100 . 1 . . . . 13 ASP C . 6786 1 106 . 1 1 13 13 ASP CA C 13 54.188 0.100 . 1 . . . . 13 ASP CA . 6786 1 107 . 1 1 13 13 ASP CB C 13 42.520 0.100 . 1 . . . . 13 ASP CB . 6786 1 108 . 1 1 13 13 ASP N N 15 115.780 0.100 . 1 . . . . 13 ASP N . 6786 1 109 . 1 1 14 14 ALA H H 1 6.944 0.010 . 1 . . . . 14 ALA HN . 6786 1 110 . 1 1 14 14 ALA HA H 1 4.416 0.010 . 1 . . . . 14 ALA HA . 6786 1 111 . 1 1 14 14 ALA HB1 H 1 1.218 0.010 . 1 . . . . 14 ALA HB . 6786 1 112 . 1 1 14 14 ALA HB2 H 1 1.218 0.010 . 1 . . . . 14 ALA HB . 6786 1 113 . 1 1 14 14 ALA HB3 H 1 1.218 0.010 . 1 . . . . 14 ALA HB . 6786 1 114 . 1 1 14 14 ALA C C 13 178.144 0.100 . 1 . . . . 14 ALA C . 6786 1 115 . 1 1 14 14 ALA CA C 13 51.705 0.100 . 1 . . . . 14 ALA CA . 6786 1 116 . 1 1 14 14 ALA CB C 13 20.243 0.100 . 1 . . . . 14 ALA CB . 6786 1 117 . 1 1 14 14 ALA N N 15 122.504 0.100 . 1 . . . . 14 ALA N . 6786 1 118 . 1 1 15 15 LEU H H 1 7.462 0.010 . 1 . . . . 15 LEU HN . 6786 1 119 . 1 1 15 15 LEU HA H 1 3.630 0.010 . 1 . . . . 15 LEU HA . 6786 1 120 . 1 1 15 15 LEU CA C 13 54.045 0.100 . 1 . . . . 15 LEU CA . 6786 1 121 . 1 1 15 15 LEU CB C 13 40.310 0.100 . 1 . . . . 15 LEU CB . 6786 1 122 . 1 1 15 15 LEU N N 15 119.213 0.100 . 1 . . . . 15 LEU N . 6786 1 123 . 1 1 16 16 PRO C C 13 178.651 0.100 . 1 . . . . 16 PRO C . 6786 1 124 . 1 1 16 16 PRO CA C 13 64.480 0.100 . 1 . . . . 16 PRO CA . 6786 1 125 . 1 1 16 16 PRO CB C 13 32.337 0.100 . 1 . . . . 16 PRO CB . 6786 1 126 . 1 1 16 16 PRO CG C 13 27.624 0.100 . 1 . . . . 16 PRO CG . 6786 1 127 . 1 1 17 17 GLY H H 1 8.404 0.010 . 1 . . . . 17 GLY HN . 6786 1 128 . 1 1 17 17 GLY HA2 H 1 3.921 0.010 . 1 . . . . 17 GLY HA1 . 6786 1 129 . 1 1 17 17 GLY HA3 H 1 3.151 0.010 . 1 . . . . 17 GLY HA2 . 6786 1 130 . 1 1 17 17 GLY C C 13 173.284 0.100 . 1 . . . . 17 GLY C . 6786 1 131 . 1 1 17 17 GLY CA C 13 46.154 0.100 . 1 . . . . 17 GLY CA . 6786 1 132 . 1 1 17 17 GLY N N 15 107.386 0.100 . 1 . . . . 17 GLY N . 6786 1 133 . 1 1 18 18 ARG H H 1 7.730 0.010 . 1 . . . . 18 ARG HN . 6786 1 134 . 1 1 18 18 ARG HA H 1 4.771 0.010 . 1 . . . . 18 ARG HA . 6786 1 135 . 1 1 18 18 ARG HB2 H 1 3.149 0.010 . 1 . . . . 18 ARG HB . 6786 1 136 . 1 1 18 18 ARG HB3 H 1 3.149 0.010 . 1 . . . . 18 ARG HB . 6786 1 137 . 1 1 18 18 ARG C C 13 175.621 0.100 . 1 . . . . 18 ARG C . 6786 1 138 . 1 1 18 18 ARG CA C 13 54.689 0.100 . 1 . . . . 18 ARG CA . 6786 1 139 . 1 1 18 18 ARG CB C 13 29.799 0.100 . 1 . . . . 18 ARG CB . 6786 1 140 . 1 1 18 18 ARG N N 15 117.406 0.100 . 1 . . . . 18 ARG N . 6786 1 141 . 1 1 19 19 ASN C C 13 175.435 0.100 . 1 . . . . 19 ASN C . 6786 1 142 . 1 1 19 19 ASN CA C 13 53.525 0.100 . 1 . . . . 19 ASN CA . 6786 1 143 . 1 1 19 19 ASN CB C 13 39.323 0.100 . 1 . . . . 19 ASN CB . 6786 1 144 . 1 1 20 20 THR H H 1 6.916 0.010 . 1 . . . . 20 THR HN . 6786 1 145 . 1 1 20 20 THR HA H 1 4.492 0.010 . 1 . . . . 20 THR HA . 6786 1 146 . 1 1 20 20 THR HB H 1 3.970 0.010 . 1 . . . . 20 THR HB . 6786 1 147 . 1 1 20 20 THR HG21 H 1 1.184 0.010 . 1 . . . . 20 THR HG2 . 6786 1 148 . 1 1 20 20 THR HG22 H 1 1.184 0.010 . 1 . . . . 20 THR HG2 . 6786 1 149 . 1 1 20 20 THR HG23 H 1 1.184 0.010 . 1 . . . . 20 THR HG2 . 6786 1 150 . 1 1 20 20 THR C C 13 172.301 0.100 . 1 . . . . 20 THR C . 6786 1 151 . 1 1 20 20 THR CA C 13 58.727 0.100 . 1 . . . . 20 THR CA . 6786 1 152 . 1 1 20 20 THR CB C 13 70.100 0.100 . 1 . . . . 20 THR CB . 6786 1 153 . 1 1 20 20 THR CG2 C 13 22.200 0.100 . 1 . . . . 20 THR CG2 . 6786 1 154 . 1 1 20 20 THR N N 15 114.242 0.100 . 1 . . . . 20 THR N . 6786 1 155 . 1 1 21 21 PRO C C 13 177.239 0.100 . 1 . . . . 21 PRO C . 6786 1 156 . 1 1 21 21 PRO CA C 13 61.964 0.100 . 1 . . . . 21 PRO CA . 6786 1 157 . 1 1 21 21 PRO CB C 13 33.331 0.100 . 1 . . . . 21 PRO CB . 6786 1 158 . 1 1 21 21 PRO CG C 13 28.033 0.100 . 1 . . . . 21 PRO CG . 6786 1 159 . 1 1 21 21 PRO CD C 13 51.545 0.100 . 1 . . . . 21 PRO CD . 6786 1 160 . 1 1 22 22 MET H H 1 8.689 0.010 . 1 . . . . 22 MET HN . 6786 1 161 . 1 1 22 22 MET HA H 1 4.629 0.010 . 1 . . . . 22 MET HA . 6786 1 162 . 1 1 22 22 MET HE1 H 1 2.161 0.010 . 1 . . . . 22 MET HE . 6786 1 163 . 1 1 22 22 MET HE2 H 1 2.161 0.010 . 1 . . . . 22 MET HE . 6786 1 164 . 1 1 22 22 MET HE3 H 1 2.161 0.010 . 1 . . . . 22 MET HE . 6786 1 165 . 1 1 22 22 MET C C 13 175.563 0.100 . 1 . . . . 22 MET C . 6786 1 166 . 1 1 22 22 MET CA C 13 52.873 0.100 . 1 . . . . 22 MET CA . 6786 1 167 . 1 1 22 22 MET CB C 13 32.758 0.100 . 1 . . . . 22 MET CB . 6786 1 168 . 1 1 22 22 MET CE C 13 17.675 0.100 . 1 . . . . 22 MET CE . 6786 1 169 . 1 1 22 22 MET N N 15 124.246 0.100 . 1 . . . . 22 MET N . 6786 1 170 . 1 1 23 23 PRO C C 13 176.812 0.100 . 1 . . . . 23 PRO C . 6786 1 171 . 1 1 23 23 PRO CA C 13 63.454 0.100 . 1 . . . . 23 PRO CA . 6786 1 172 . 1 1 23 23 PRO CB C 13 32.106 0.100 . 1 . . . . 23 PRO CB . 6786 1 173 . 1 1 23 23 PRO CG C 13 28.499 0.100 . 1 . . . . 23 PRO CG . 6786 1 174 . 1 1 23 23 PRO CD C 13 51.931 0.100 . 1 . . . . 23 PRO CD . 6786 1 175 . 1 1 24 24 VAL H H 1 7.977 0.010 . 1 . . . . 24 VAL HN . 6786 1 176 . 1 1 24 24 VAL HA H 1 4.196 0.010 . 1 . . . . 24 VAL HA . 6786 1 177 . 1 1 24 24 VAL HB H 1 1.662 0.010 . 1 . . . . 24 VAL HB . 6786 1 178 . 1 1 24 24 VAL HG11 H 1 0.538 0.010 . 1 . . . . 24 VAL HG1 . 6786 1 179 . 1 1 24 24 VAL HG12 H 1 0.538 0.010 . 1 . . . . 24 VAL HG1 . 6786 1 180 . 1 1 24 24 VAL HG13 H 1 0.538 0.010 . 1 . . . . 24 VAL HG1 . 6786 1 181 . 1 1 24 24 VAL HG21 H 1 0.787 0.010 . 1 . . . . 24 VAL HG2 . 6786 1 182 . 1 1 24 24 VAL HG22 H 1 0.787 0.010 . 1 . . . . 24 VAL HG2 . 6786 1 183 . 1 1 24 24 VAL HG23 H 1 0.787 0.010 . 1 . . . . 24 VAL HG2 . 6786 1 184 . 1 1 24 24 VAL C C 13 175.583 0.100 . 1 . . . . 24 VAL C . 6786 1 185 . 1 1 24 24 VAL CA C 13 60.997 0.100 . 1 . . . . 24 VAL CA . 6786 1 186 . 1 1 24 24 VAL CB C 13 35.535 0.100 . 1 . . . . 24 VAL CB . 6786 1 187 . 1 1 24 24 VAL CG1 C 13 21.785 0.100 . 1 . . . . 24 VAL CG1 . 6786 1 188 . 1 1 24 24 VAL CG2 C 13 22.050 0.100 . 1 . . . . 24 VAL CG2 . 6786 1 189 . 1 1 24 24 VAL N N 15 123.280 0.100 . 1 . . . . 24 VAL N . 6786 1 190 . 1 1 25 25 ALA H H 1 9.579 0.010 . 1 . . . . 25 ALA HN . 6786 1 191 . 1 1 25 25 ALA HA H 1 4.058 0.010 . 1 . . . . 25 ALA HA . 6786 1 192 . 1 1 25 25 ALA HB1 H 1 1.384 0.010 . 1 . . . . 25 ALA HB . 6786 1 193 . 1 1 25 25 ALA HB2 H 1 1.384 0.010 . 1 . . . . 25 ALA HB . 6786 1 194 . 1 1 25 25 ALA HB3 H 1 1.384 0.010 . 1 . . . . 25 ALA HB . 6786 1 195 . 1 1 25 25 ALA C C 13 177.644 0.100 . 1 . . . . 25 ALA C . 6786 1 196 . 1 1 25 25 ALA CA C 13 52.648 0.100 . 1 . . . . 25 ALA CA . 6786 1 197 . 1 1 25 25 ALA CB C 13 19.784 0.100 . 1 . . . . 25 ALA CB . 6786 1 198 . 1 1 25 25 ALA N N 15 131.162 0.100 . 1 . . . . 25 ALA N . 6786 1 199 . 1 1 26 26 THR H H 1 7.933 0.010 . 1 . . . . 26 THR HN . 6786 1 200 . 1 1 26 26 THR HA H 1 3.928 0.010 . 1 . . . . 26 THR HA . 6786 1 201 . 1 1 26 26 THR HB H 1 4.009 0.010 . 1 . . . . 26 THR HB . 6786 1 202 . 1 1 26 26 THR HG21 H 1 1.194 0.010 . 1 . . . . 26 THR HG2 . 6786 1 203 . 1 1 26 26 THR HG22 H 1 1.194 0.010 . 1 . . . . 26 THR HG2 . 6786 1 204 . 1 1 26 26 THR HG23 H 1 1.194 0.010 . 1 . . . . 26 THR HG2 . 6786 1 205 . 1 1 26 26 THR C C 13 176.323 0.100 . 1 . . . . 26 THR C . 6786 1 206 . 1 1 26 26 THR CA C 13 65.343 0.100 . 1 . . . . 26 THR CA . 6786 1 207 . 1 1 26 26 THR CB C 13 69.789 0.100 . 1 . . . . 26 THR CB . 6786 1 208 . 1 1 26 26 THR CG2 C 13 23.144 0.100 . 1 . . . . 26 THR CG2 . 6786 1 209 . 1 1 26 26 THR N N 15 111.297 0.100 . 1 . . . . 26 THR N . 6786 1 210 . 1 1 27 27 LEU H H 1 7.647 0.010 . 1 . . . . 27 LEU HN . 6786 1 211 . 1 1 27 27 LEU HA H 1 4.887 0.010 . 1 . . . . 27 LEU HA . 6786 1 212 . 1 1 27 27 LEU HB2 H 1 1.500 0.010 . 1 . . . . 27 LEU HB2 . 6786 1 213 . 1 1 27 27 LEU HB3 H 1 0.950 0.010 . 1 . . . . 27 LEU HB3 . 6786 1 214 . 1 1 27 27 LEU HG H 1 1.428 0.010 . 1 . . . . 27 LEU HG . 6786 1 215 . 1 1 27 27 LEU HD11 H 1 0.771 0.010 . 1 . . . . 27 LEU HD1 . 6786 1 216 . 1 1 27 27 LEU HD12 H 1 0.771 0.010 . 1 . . . . 27 LEU HD1 . 6786 1 217 . 1 1 27 27 LEU HD13 H 1 0.771 0.010 . 1 . . . . 27 LEU HD1 . 6786 1 218 . 1 1 27 27 LEU HD21 H 1 0.668 0.010 . 1 . . . . 27 LEU HD2 . 6786 1 219 . 1 1 27 27 LEU HD22 H 1 0.668 0.010 . 1 . . . . 27 LEU HD2 . 6786 1 220 . 1 1 27 27 LEU HD23 H 1 0.668 0.010 . 1 . . . . 27 LEU HD2 . 6786 1 221 . 1 1 27 27 LEU C C 13 177.161 0.100 . 1 . . . . 27 LEU C . 6786 1 222 . 1 1 27 27 LEU CA C 13 53.187 0.100 . 1 . . . . 27 LEU CA . 6786 1 223 . 1 1 27 27 LEU CB C 13 45.106 0.100 . 1 . . . . 27 LEU CB . 6786 1 224 . 1 1 27 27 LEU CG C 13 26.450 0.100 . 1 . . . . 27 LEU CG . 6786 1 225 . 1 1 27 27 LEU CD1 C 13 25.644 0.100 . 1 . . . . 27 LEU CD1 . 6786 1 226 . 1 1 27 27 LEU CD2 C 13 22.050 0.100 . 1 . . . . 27 LEU CD2 . 6786 1 227 . 1 1 27 27 LEU N N 15 117.993 0.100 . 1 . . . . 27 LEU N . 6786 1 228 . 1 1 28 28 HIS H H 1 9.172 0.010 . 1 . . . . 28 HIS HN . 6786 1 229 . 1 1 28 28 HIS HA H 1 4.089 0.010 . 1 . . . . 28 HIS HA . 6786 1 230 . 1 1 28 28 HIS HB2 H 1 3.015 0.010 . 1 . . . . 28 HIS HB2 . 6786 1 231 . 1 1 28 28 HIS HB3 H 1 2.715 0.010 . 1 . . . . 28 HIS HB3 . 6786 1 232 . 1 1 28 28 HIS C C 13 178.532 0.100 . 1 . . . . 28 HIS C . 6786 1 233 . 1 1 28 28 HIS CA C 13 58.478 0.100 . 1 . . . . 28 HIS CA . 6786 1 234 . 1 1 28 28 HIS CB C 13 33.147 0.100 . 1 . . . . 28 HIS CB . 6786 1 235 . 1 1 28 28 HIS N N 15 125.845 0.100 . 1 . . . . 28 HIS N . 6786 1 236 . 1 1 29 29 ALA H H 1 8.460 0.010 . 1 . . . . 29 ALA HN . 6786 1 237 . 1 1 29 29 ALA HA H 1 3.799 0.010 . 1 . . . . 29 ALA HA . 6786 1 238 . 1 1 29 29 ALA HB1 H 1 1.108 0.010 . 1 . . . . 29 ALA HB . 6786 1 239 . 1 1 29 29 ALA HB2 H 1 1.108 0.010 . 1 . . . . 29 ALA HB . 6786 1 240 . 1 1 29 29 ALA HB3 H 1 1.108 0.010 . 1 . . . . 29 ALA HB . 6786 1 241 . 1 1 29 29 ALA C C 13 177.253 0.100 . 1 . . . . 29 ALA C . 6786 1 242 . 1 1 29 29 ALA CA C 13 54.688 0.100 . 1 . . . . 29 ALA CA . 6786 1 243 . 1 1 29 29 ALA CB C 13 19.666 0.100 . 1 . . . . 29 ALA CB . 6786 1 244 . 1 1 29 29 ALA N N 15 129.404 0.100 . 1 . . . . 29 ALA N . 6786 1 245 . 1 1 30 30 VAL H H 1 7.683 0.010 . 1 . . . . 30 VAL HN . 6786 1 246 . 1 1 30 30 VAL HA H 1 2.837 0.010 . 1 . . . . 30 VAL HA . 6786 1 247 . 1 1 30 30 VAL HB H 1 1.162 0.010 . 1 . . . . 30 VAL HB . 6786 1 248 . 1 1 30 30 VAL HG11 H 1 0.310 0.010 . 1 . . . . 30 VAL HG1 . 6786 1 249 . 1 1 30 30 VAL HG12 H 1 0.310 0.010 . 1 . . . . 30 VAL HG1 . 6786 1 250 . 1 1 30 30 VAL HG13 H 1 0.310 0.010 . 1 . . . . 30 VAL HG1 . 6786 1 251 . 1 1 30 30 VAL HG21 H 1 -0.115 0.010 . 1 . . . . 30 VAL HG2 . 6786 1 252 . 1 1 30 30 VAL HG22 H 1 -0.115 0.010 . 1 . . . . 30 VAL HG2 . 6786 1 253 . 1 1 30 30 VAL HG23 H 1 -0.115 0.010 . 1 . . . . 30 VAL HG2 . 6786 1 254 . 1 1 30 30 VAL C C 13 178.113 0.100 . 1 . . . . 30 VAL C . 6786 1 255 . 1 1 30 30 VAL CA C 13 63.956 0.100 . 1 . . . . 30 VAL CA . 6786 1 256 . 1 1 30 30 VAL CB C 13 31.698 0.100 . 1 . . . . 30 VAL CB . 6786 1 257 . 1 1 30 30 VAL CG1 C 13 20.956 0.100 . 1 . . . . 30 VAL CG1 . 6786 1 258 . 1 1 30 30 VAL CG2 C 13 19.238 0.100 . 1 . . . . 30 VAL CG2 . 6786 1 259 . 1 1 30 30 VAL N N 15 114.022 0.100 . 1 . . . . 30 VAL N . 6786 1 260 . 1 1 31 31 ASN H H 1 7.568 0.010 . 1 . . . . 31 ASN HN . 6786 1 261 . 1 1 31 31 ASN HA H 1 4.432 0.010 . 1 . . . . 31 ASN HA . 6786 1 262 . 1 1 31 31 ASN HB2 H 1 2.183 0.010 . 1 . . . . 31 ASN HB . 6786 1 263 . 1 1 31 31 ASN HB3 H 1 2.183 0.010 . 1 . . . . 31 ASN HB . 6786 1 264 . 1 1 31 31 ASN C C 13 177.284 0.100 . 1 . . . . 31 ASN C . 6786 1 265 . 1 1 31 31 ASN CA C 13 52.102 0.100 . 1 . . . . 31 ASN CA . 6786 1 266 . 1 1 31 31 ASN CB C 13 39.815 0.100 . 1 . . . . 31 ASN CB . 6786 1 267 . 1 1 31 31 ASN N N 15 113.043 0.100 . 1 . . . . 31 ASN N . 6786 1 268 . 1 1 32 32 GLY H H 1 7.480 0.010 . 1 . . . . 32 GLY HN . 6786 1 269 . 1 1 32 32 GLY C C 13 174.385 0.100 . 1 . . . . 32 GLY C . 6786 1 270 . 1 1 32 32 GLY CA C 13 46.995 0.100 . 1 . . . . 32 GLY CA . 6786 1 271 . 1 1 32 32 GLY N N 15 105.848 0.100 . 1 . . . . 32 GLY N . 6786 1 272 . 1 1 33 33 HIS H H 1 8.146 0.010 . 1 . . . . 33 HIS HN . 6786 1 273 . 1 1 33 33 HIS HA H 1 4.716 0.010 . 1 . . . . 33 HIS HA . 6786 1 274 . 1 1 33 33 HIS HB2 H 1 2.655 0.010 . 1 . . . . 33 HIS HB2 . 6786 1 275 . 1 1 33 33 HIS HB3 H 1 2.100 0.010 . 1 . . . . 33 HIS HB3 . 6786 1 276 . 1 1 33 33 HIS C C 13 174.800 0.100 . 1 . . . . 33 HIS C . 6786 1 277 . 1 1 33 33 HIS CA C 13 52.117 0.100 . 1 . . . . 33 HIS CA . 6786 1 278 . 1 1 33 33 HIS CB C 13 29.090 0.100 . 1 . . . . 33 HIS CB . 6786 1 279 . 1 1 33 33 HIS N N 15 117.450 0.100 . 1 . . . . 33 HIS N . 6786 1 280 . 1 1 34 34 SER H H 1 7.840 0.010 . 1 . . . . 34 SER HN . 6786 1 281 . 1 1 34 34 SER HA H 1 4.157 0.010 . 1 . . . . 34 SER HA . 6786 1 282 . 1 1 34 34 SER HB2 H 1 3.975 0.010 . 1 . . . . 34 SER HB . 6786 1 283 . 1 1 34 34 SER HB3 H 1 3.975 0.010 . 1 . . . . 34 SER HB . 6786 1 284 . 1 1 34 34 SER C C 13 177.635 0.100 . 1 . . . . 34 SER C . 6786 1 285 . 1 1 34 34 SER CA C 13 59.160 0.100 . 1 . . . . 34 SER CA . 6786 1 286 . 1 1 34 34 SER CB C 13 63.820 0.100 . 1 . . . . 34 SER CB . 6786 1 287 . 1 1 34 34 SER N N 15 111.781 0.100 . 1 . . . . 34 SER N . 6786 1 288 . 1 1 35 35 MET H H 1 8.230 0.010 . 1 . . . . 35 MET HN . 6786 1 289 . 1 1 35 35 MET HA H 1 4.747 0.010 . 1 . . . . 35 MET HA . 6786 1 290 . 1 1 35 35 MET HE1 H 1 2.258 0.010 . 1 . . . . 35 MET HE . 6786 1 291 . 1 1 35 35 MET HE2 H 1 2.258 0.010 . 1 . . . . 35 MET HE . 6786 1 292 . 1 1 35 35 MET HE3 H 1 2.258 0.010 . 1 . . . . 35 MET HE . 6786 1 293 . 1 1 35 35 MET C C 13 177.983 0.100 . 1 . . . . 35 MET C . 6786 1 294 . 1 1 35 35 MET CA C 13 56.446 0.100 . 1 . . . . 35 MET CA . 6786 1 295 . 1 1 35 35 MET CB C 13 33.740 0.100 . 1 . . . . 35 MET CB . 6786 1 296 . 1 1 35 35 MET CE C 13 16.580 0.100 . 1 . . . . 35 MET CE . 6786 1 297 . 1 1 35 35 MET N N 15 124.514 0.100 . 1 . . . . 35 MET N . 6786 1 298 . 1 1 36 36 THR H H 1 8.062 0.010 . 1 . . . . 36 THR HN . 6786 1 299 . 1 1 36 36 THR HA H 1 4.330 0.010 . 1 . . . . 36 THR HA . 6786 1 300 . 1 1 36 36 THR HB H 1 4.018 0.010 . 1 . . . . 36 THR HB . 6786 1 301 . 1 1 36 36 THR HG21 H 1 0.856 0.010 . 1 . . . . 36 THR HG2 . 6786 1 302 . 1 1 36 36 THR HG22 H 1 0.856 0.010 . 1 . . . . 36 THR HG2 . 6786 1 303 . 1 1 36 36 THR HG23 H 1 0.856 0.010 . 1 . . . . 36 THR HG2 . 6786 1 304 . 1 1 36 36 THR C C 13 175.613 0.100 . 1 . . . . 36 THR C . 6786 1 305 . 1 1 36 36 THR CA C 13 62.467 0.100 . 1 . . . . 36 THR CA . 6786 1 306 . 1 1 36 36 THR CB C 13 70.388 0.100 . 1 . . . . 36 THR CB . 6786 1 307 . 1 1 36 36 THR CG2 C 13 21.860 0.100 . 1 . . . . 36 THR CG2 . 6786 1 308 . 1 1 36 36 THR N N 15 107.913 0.100 . 1 . . . . 36 THR N . 6786 1 309 . 1 1 37 37 ASN H H 1 8.305 0.010 . 1 . . . . 37 ASN HN . 6786 1 310 . 1 1 37 37 ASN HA H 1 4.323 0.010 . 1 . . . . 37 ASN HA . 6786 1 311 . 1 1 37 37 ASN HB2 H 1 2.670 0.010 . 1 . . . . 37 ASN HB . 6786 1 312 . 1 1 37 37 ASN HB3 H 1 2.670 0.010 . 1 . . . . 37 ASN HB . 6786 1 313 . 1 1 37 37 ASN C C 13 174.925 0.100 . 1 . . . . 37 ASN C . 6786 1 314 . 1 1 37 37 ASN CA C 13 54.674 0.100 . 1 . . . . 37 ASN CA . 6786 1 315 . 1 1 37 37 ASN CB C 13 39.876 0.100 . 1 . . . . 37 ASN CB . 6786 1 316 . 1 1 37 37 ASN N N 15 121.732 0.100 . 1 . . . . 37 ASN N . 6786 1 317 . 1 1 38 38 VAL H H 1 8.257 0.010 . 1 . . . . 38 VAL HN . 6786 1 318 . 1 1 38 38 VAL HA H 1 4.071 0.010 . 1 . . . . 38 VAL HA . 6786 1 319 . 1 1 38 38 VAL HB H 1 1.830 0.010 . 1 . . . . 38 VAL HB . 6786 1 320 . 1 1 38 38 VAL HG11 H 1 0.507 0.010 . 1 . . . . 38 VAL HG1 . 6786 1 321 . 1 1 38 38 VAL HG12 H 1 0.507 0.010 . 1 . . . . 38 VAL HG1 . 6786 1 322 . 1 1 38 38 VAL HG13 H 1 0.507 0.010 . 1 . . . . 38 VAL HG1 . 6786 1 323 . 1 1 38 38 VAL HG21 H 1 0.722 0.010 . 1 . . . . 38 VAL HG2 . 6786 1 324 . 1 1 38 38 VAL HG22 H 1 0.722 0.010 . 1 . . . . 38 VAL HG2 . 6786 1 325 . 1 1 38 38 VAL HG23 H 1 0.722 0.010 . 1 . . . . 38 VAL HG2 . 6786 1 326 . 1 1 38 38 VAL C C 13 173.800 0.100 . 1 . . . . 38 VAL C . 6786 1 327 . 1 1 38 38 VAL CA C 13 59.570 0.100 . 1 . . . . 38 VAL CA . 6786 1 328 . 1 1 38 38 VAL CB C 13 33.160 0.100 . 1 . . . . 38 VAL CB . 6786 1 329 . 1 1 38 38 VAL CG1 C 13 21.269 0.100 . 1 . . . . 38 VAL CG1 . 6786 1 330 . 1 1 38 38 VAL CG2 C 13 21.425 0.100 . 1 . . . . 38 VAL CG2 . 6786 1 331 . 1 1 38 38 VAL N N 15 124.697 0.100 . 1 . . . . 38 VAL N . 6786 1 332 . 1 1 39 39 PRO C C 13 175.488 0.100 . 1 . . . . 39 PRO C . 6786 1 333 . 1 1 39 39 PRO CA C 13 62.864 0.100 . 1 . . . . 39 PRO CA . 6786 1 334 . 1 1 39 39 PRO CB C 13 32.538 0.100 . 1 . . . . 39 PRO CB . 6786 1 335 . 1 1 39 39 PRO CG C 13 27.405 0.100 . 1 . . . . 39 PRO CG . 6786 1 336 . 1 1 40 40 ASP H H 1 8.086 0.010 . 1 . . . . 40 ASP HN . 6786 1 337 . 1 1 40 40 ASP HA H 1 4.097 0.010 . 1 . . . . 40 ASP HA . 6786 1 338 . 1 1 40 40 ASP HB2 H 1 2.435 0.010 . 1 . . . . 40 ASP HB . 6786 1 339 . 1 1 40 40 ASP HB3 H 1 2.435 0.010 . 1 . . . . 40 ASP HB . 6786 1 340 . 1 1 40 40 ASP C C 13 177.625 0.100 . 1 . . . . 40 ASP C . 6786 1 341 . 1 1 40 40 ASP CA C 13 56.602 0.100 . 1 . . . . 40 ASP CA . 6786 1 342 . 1 1 40 40 ASP CB C 13 41.041 0.100 . 1 . . . . 40 ASP CB . 6786 1 343 . 1 1 40 40 ASP N N 15 121.112 0.100 . 1 . . . . 40 ASP N . 6786 1 344 . 1 1 41 41 GLY H H 1 8.515 0.010 . 1 . . . . 41 GLY HN . 6786 1 345 . 1 1 41 41 GLY HA2 H 1 4.115 0.010 . 1 . . . . 41 GLY HA1 . 6786 1 346 . 1 1 41 41 GLY HA3 H 1 3.513 0.010 . 1 . . . . 41 GLY HA2 . 6786 1 347 . 1 1 41 41 GLY C C 13 175.137 0.100 . 1 . . . . 41 GLY C . 6786 1 348 . 1 1 41 41 GLY CA C 13 45.572 0.100 . 1 . . . . 41 GLY CA . 6786 1 349 . 1 1 41 41 GLY N N 15 112.572 0.100 . 1 . . . . 41 GLY N . 6786 1 350 . 1 1 42 42 MET H H 1 7.777 0.010 . 1 . . . . 42 MET HN . 6786 1 351 . 1 1 42 42 MET HA H 1 4.485 0.010 . 1 . . . . 42 MET HA . 6786 1 352 . 1 1 42 42 MET HE1 H 1 1.741 0.010 . 1 . . . . 42 MET HE . 6786 1 353 . 1 1 42 42 MET HE2 H 1 1.741 0.010 . 1 . . . . 42 MET HE . 6786 1 354 . 1 1 42 42 MET HE3 H 1 1.741 0.010 . 1 . . . . 42 MET HE . 6786 1 355 . 1 1 42 42 MET C C 13 174.696 0.100 . 1 . . . . 42 MET C . 6786 1 356 . 1 1 42 42 MET CA C 13 57.048 0.100 . 1 . . . . 42 MET CA . 6786 1 357 . 1 1 42 42 MET CB C 13 32.397 0.100 . 1 . . . . 42 MET CB . 6786 1 358 . 1 1 42 42 MET CG C 13 35.920 0.100 . 1 . . . . 42 MET CG . 6786 1 359 . 1 1 42 42 MET CE C 13 19.238 0.100 . 1 . . . . 42 MET CE . 6786 1 360 . 1 1 42 42 MET N N 15 117.916 0.100 . 1 . . . . 42 MET N . 6786 1 361 . 1 1 43 43 GLU H H 1 8.152 0.010 . 1 . . . . 43 GLU HN . 6786 1 362 . 1 1 43 43 GLU HA H 1 4.294 0.010 . 1 . . . . 43 GLU HA . 6786 1 363 . 1 1 43 43 GLU HG2 H 1 1.829 0.010 . 1 . . . . 43 GLU HG . 6786 1 364 . 1 1 43 43 GLU HG3 H 1 1.829 0.010 . 1 . . . . 43 GLU HG . 6786 1 365 . 1 1 43 43 GLU C C 13 173.323 0.100 . 1 . . . . 43 GLU C . 6786 1 366 . 1 1 43 43 GLU CA C 13 55.046 0.100 . 1 . . . . 43 GLU CA . 6786 1 367 . 1 1 43 43 GLU CB C 13 34.309 0.100 . 1 . . . . 43 GLU CB . 6786 1 368 . 1 1 43 43 GLU CG C 13 37.150 0.100 . 1 . . . . 43 GLU CG . 6786 1 369 . 1 1 43 43 GLU N N 15 118.574 0.100 . 1 . . . . 43 GLU N . 6786 1 370 . 1 1 44 44 ILE H H 1 7.489 0.010 . 1 . . . . 44 ILE HN . 6786 1 371 . 1 1 44 44 ILE HA H 1 5.211 0.010 . 1 . . . . 44 ILE HA . 6786 1 372 . 1 1 44 44 ILE HB H 1 1.329 0.010 . 1 . . . . 44 ILE HB . 6786 1 373 . 1 1 44 44 ILE HG21 H 1 0.518 0.010 . 1 . . . . 44 ILE HG2 . 6786 1 374 . 1 1 44 44 ILE HG22 H 1 0.518 0.010 . 1 . . . . 44 ILE HG2 . 6786 1 375 . 1 1 44 44 ILE HG23 H 1 0.518 0.010 . 1 . . . . 44 ILE HG2 . 6786 1 376 . 1 1 44 44 ILE HD11 H 1 0.669 0.010 . 1 . . . . 44 ILE HD1 . 6786 1 377 . 1 1 44 44 ILE HD12 H 1 0.669 0.010 . 1 . . . . 44 ILE HD1 . 6786 1 378 . 1 1 44 44 ILE HD13 H 1 0.669 0.010 . 1 . . . . 44 ILE HD1 . 6786 1 379 . 1 1 44 44 ILE C C 13 176.082 0.100 . 1 . . . . 44 ILE C . 6786 1 380 . 1 1 44 44 ILE CA C 13 60.012 0.100 . 1 . . . . 44 ILE CA . 6786 1 381 . 1 1 44 44 ILE CB C 13 41.602 0.100 . 1 . . . . 44 ILE CB . 6786 1 382 . 1 1 44 44 ILE CG1 C 13 28.930 0.100 . 1 . . . . 44 ILE CG1 . 6786 1 383 . 1 1 44 44 ILE CG2 C 13 19.238 0.100 . 1 . . . . 44 ILE CG2 . 6786 1 384 . 1 1 44 44 ILE CD1 C 13 15.019 0.100 . 1 . . . . 44 ILE CD1 . 6786 1 385 . 1 1 44 44 ILE N N 15 117.494 0.100 . 1 . . . . 44 ILE N . 6786 1 386 . 1 1 45 45 ALA H H 1 9.508 0.010 . 1 . . . . 45 ALA HN . 6786 1 387 . 1 1 45 45 ALA HA H 1 4.882 0.010 . 1 . . . . 45 ALA HA . 6786 1 388 . 1 1 45 45 ALA HB1 H 1 1.068 0.010 . 1 . . . . 45 ALA HB . 6786 1 389 . 1 1 45 45 ALA HB2 H 1 1.068 0.010 . 1 . . . . 45 ALA HB . 6786 1 390 . 1 1 45 45 ALA HB3 H 1 1.068 0.010 . 1 . . . . 45 ALA HB . 6786 1 391 . 1 1 45 45 ALA C C 13 175.481 0.100 . 1 . . . . 45 ALA C . 6786 1 392 . 1 1 45 45 ALA CA C 13 50.541 0.100 . 1 . . . . 45 ALA CA . 6786 1 393 . 1 1 45 45 ALA CB C 13 23.551 0.100 . 1 . . . . 45 ALA CB . 6786 1 394 . 1 1 45 45 ALA N N 15 128.236 0.100 . 1 . . . . 45 ALA N . 6786 1 395 . 1 1 46 46 ILE H H 1 7.349 0.010 . 1 . . . . 46 ILE HN . 6786 1 396 . 1 1 46 46 ILE HA H 1 4.943 0.010 . 1 . . . . 46 ILE HA . 6786 1 397 . 1 1 46 46 ILE HB H 1 1.711 0.010 . 1 . . . . 46 ILE HB . 6786 1 398 . 1 1 46 46 ILE HG21 H 1 0.734 0.010 . 1 . . . . 46 ILE HG2 . 6786 1 399 . 1 1 46 46 ILE HG22 H 1 0.734 0.010 . 1 . . . . 46 ILE HG2 . 6786 1 400 . 1 1 46 46 ILE HG23 H 1 0.734 0.010 . 1 . . . . 46 ILE HG2 . 6786 1 401 . 1 1 46 46 ILE HD11 H 1 0.636 0.010 . 1 . . . . 46 ILE HD1 . 6786 1 402 . 1 1 46 46 ILE HD12 H 1 0.636 0.010 . 1 . . . . 46 ILE HD1 . 6786 1 403 . 1 1 46 46 ILE HD13 H 1 0.636 0.010 . 1 . . . . 46 ILE HD1 . 6786 1 404 . 1 1 46 46 ILE C C 13 175.665 0.100 . 1 . . . . 46 ILE C . 6786 1 405 . 1 1 46 46 ILE CA C 13 60.266 0.100 . 1 . . . . 46 ILE CA . 6786 1 406 . 1 1 46 46 ILE CB C 13 40.887 0.100 . 1 . . . . 46 ILE CB . 6786 1 407 . 1 1 46 46 ILE CG2 C 13 18.925 0.100 . 1 . . . . 46 ILE CG2 . 6786 1 408 . 1 1 46 46 ILE CD1 C 13 13.925 0.100 . 1 . . . . 46 ILE CD1 . 6786 1 409 . 1 1 46 46 ILE N N 15 118.944 0.100 . 1 . . . . 46 ILE N . 6786 1 410 . 1 1 47 47 PHE H H 1 7.888 0.010 . 1 . . . . 47 PHE HN . 6786 1 411 . 1 1 47 47 PHE HB2 H 1 3.101 0.010 . 1 . . . . 47 PHE HB2 . 6786 1 412 . 1 1 47 47 PHE HB3 H 1 2.292 0.010 . 1 . . . . 47 PHE HB3 . 6786 1 413 . 1 1 47 47 PHE C C 13 173.637 0.100 . 1 . . . . 47 PHE C . 6786 1 414 . 1 1 47 47 PHE CA C 13 55.832 0.100 . 1 . . . . 47 PHE CA . 6786 1 415 . 1 1 47 47 PHE CB C 13 46.250 0.100 . 1 . . . . 47 PHE CB . 6786 1 416 . 1 1 47 47 PHE N N 15 123.071 0.100 . 1 . . . . 47 PHE N . 6786 1 417 . 1 1 48 48 ALA H H 1 9.421 0.010 . 1 . . . . 48 ALA HN . 6786 1 418 . 1 1 48 48 ALA HA H 1 5.170 0.010 . 1 . . . . 48 ALA HA . 6786 1 419 . 1 1 48 48 ALA HB1 H 1 1.597 0.010 . 1 . . . . 48 ALA HB . 6786 1 420 . 1 1 48 48 ALA HB2 H 1 1.597 0.010 . 1 . . . . 48 ALA HB . 6786 1 421 . 1 1 48 48 ALA HB3 H 1 1.597 0.010 . 1 . . . . 48 ALA HB . 6786 1 422 . 1 1 48 48 ALA C C 13 176.277 0.100 . 1 . . . . 48 ALA C . 6786 1 423 . 1 1 48 48 ALA CA C 13 52.471 0.100 . 1 . . . . 48 ALA CA . 6786 1 424 . 1 1 48 48 ALA CB C 13 23.339 0.100 . 1 . . . . 48 ALA CB . 6786 1 425 . 1 1 48 48 ALA N N 15 124.834 0.100 . 1 . . . . 48 ALA N . 6786 1 426 . 1 1 49 49 MET H H 1 9.505 0.010 . 1 . . . . 49 MET HN . 6786 1 427 . 1 1 49 49 MET HE1 H 1 1.606 0.010 . 1 . . . . 49 MET HE . 6786 1 428 . 1 1 49 49 MET HE2 H 1 1.606 0.010 . 1 . . . . 49 MET HE . 6786 1 429 . 1 1 49 49 MET HE3 H 1 1.606 0.010 . 1 . . . . 49 MET HE . 6786 1 430 . 1 1 49 49 MET C C 13 173.560 0.100 . 1 . . . . 49 MET C . 6786 1 431 . 1 1 49 49 MET CA C 13 54.831 0.100 . 1 . . . . 49 MET CA . 6786 1 432 . 1 1 49 49 MET CB C 13 32.020 0.100 . 1 . . . . 49 MET CB . 6786 1 433 . 1 1 49 49 MET CE C 13 16.425 0.100 . 1 . . . . 49 MET CE . 6786 1 434 . 1 1 49 49 MET N N 15 121.142 0.100 . 1 . . . . 49 MET N . 6786 1 435 . 1 1 50 50 GLY H H 1 9.496 0.010 . 1 . . . . 50 GLY HN . 6786 1 436 . 1 1 50 50 GLY CA C 13 43.385 0.100 . 1 . . . . 50 GLY CA . 6786 1 437 . 1 1 50 50 GLY N N 15 110.069 0.100 . 1 . . . . 50 GLY N . 6786 1 438 . 1 1 53 53 TRP HA H 1 4.017 0.010 . 1 . . . . 53 TRP HA . 6786 1 439 . 1 1 53 53 TRP C C 13 181.159 0.100 . 1 . . . . 53 TRP C . 6786 1 440 . 1 1 53 53 TRP CA C 13 57.424 0.100 . 1 . . . . 53 TRP CA . 6786 1 441 . 1 1 53 53 TRP CB C 13 30.178 0.100 . 1 . . . . 53 TRP CB . 6786 1 442 . 1 1 54 54 GLY H H 1 7.512 0.010 . 1 . . . . 54 GLY HN . 6786 1 443 . 1 1 54 54 GLY C C 13 176.448 0.100 . 1 . . . . 54 GLY C . 6786 1 444 . 1 1 54 54 GLY CA C 13 46.744 0.100 . 1 . . . . 54 GLY CA . 6786 1 445 . 1 1 54 54 GLY N N 15 104.578 0.100 . 1 . . . . 54 GLY N . 6786 1 446 . 1 1 55 55 VAL H H 1 7.027 0.010 . 1 . . . . 55 VAL HN . 6786 1 447 . 1 1 55 55 VAL HA H 1 3.408 0.010 . 1 . . . . 55 VAL HA . 6786 1 448 . 1 1 55 55 VAL HB H 1 1.947 0.010 . 1 . . . . 55 VAL HB . 6786 1 449 . 1 1 55 55 VAL HG11 H 1 1.225 0.010 . 1 . . . . 55 VAL HG1 . 6786 1 450 . 1 1 55 55 VAL HG12 H 1 1.225 0.010 . 1 . . . . 55 VAL HG1 . 6786 1 451 . 1 1 55 55 VAL HG13 H 1 1.225 0.010 . 1 . . . . 55 VAL HG1 . 6786 1 452 . 1 1 55 55 VAL HG21 H 1 0.805 0.010 . 1 . . . . 55 VAL HG2 . 6786 1 453 . 1 1 55 55 VAL HG22 H 1 0.805 0.010 . 1 . . . . 55 VAL HG2 . 6786 1 454 . 1 1 55 55 VAL HG23 H 1 0.805 0.010 . 1 . . . . 55 VAL HG2 . 6786 1 455 . 1 1 55 55 VAL C C 13 177.763 0.100 . 1 . . . . 55 VAL C . 6786 1 456 . 1 1 55 55 VAL CA C 13 66.058 0.100 . 1 . . . . 55 VAL CA . 6786 1 457 . 1 1 55 55 VAL CB C 13 33.021 0.100 . 1 . . . . 55 VAL CB . 6786 1 458 . 1 1 55 55 VAL N N 15 122.504 0.100 . 1 . . . . 55 VAL N . 6786 1 459 . 1 1 56 56 GLU H H 1 8.802 0.010 . 1 . . . . 56 GLU HN . 6786 1 460 . 1 1 56 56 GLU HA H 1 3.897 0.010 . 1 . . . . 56 GLU HA . 6786 1 461 . 1 1 56 56 GLU HB2 H 1 2.466 0.010 . 1 . . . . 56 GLU HB . 6786 1 462 . 1 1 56 56 GLU HB3 H 1 2.466 0.010 . 1 . . . . 56 GLU HB . 6786 1 463 . 1 1 56 56 GLU C C 13 177.919 0.100 . 1 . . . . 56 GLU C . 6786 1 464 . 1 1 56 56 GLU CA C 13 61.635 0.100 . 1 . . . . 56 GLU CA . 6786 1 465 . 1 1 56 56 GLU CB C 13 29.160 0.100 . 1 . . . . 56 GLU CB . 6786 1 466 . 1 1 56 56 GLU CG C 13 37.592 0.100 . 1 . . . . 56 GLU CG . 6786 1 467 . 1 1 56 56 GLU N N 15 119.604 0.100 . 1 . . . . 56 GLU N . 6786 1 468 . 1 1 57 57 ARG H H 1 6.286 0.010 . 1 . . . . 57 ARG HN . 6786 1 469 . 1 1 57 57 ARG HA H 1 3.464 0.010 . 1 . . . . 57 ARG HA . 6786 1 470 . 1 1 57 57 ARG HD2 H 1 3.015 0.010 . 1 . . . . 57 ARG HD2 . 6786 1 471 . 1 1 57 57 ARG HD3 H 1 2.801 0.010 . 1 . . . . 57 ARG HD3 . 6786 1 472 . 1 1 57 57 ARG C C 13 176.567 0.100 . 1 . . . . 57 ARG C . 6786 1 473 . 1 1 57 57 ARG CA C 13 57.334 0.100 . 1 . . . . 57 ARG CA . 6786 1 474 . 1 1 57 57 ARG CB C 13 31.198 0.100 . 1 . . . . 57 ARG CB . 6786 1 475 . 1 1 57 57 ARG CG C 13 26.845 0.100 . 1 . . . . 57 ARG CG . 6786 1 476 . 1 1 57 57 ARG CD C 13 44.699 0.100 . 1 . . . . 57 ARG CD . 6786 1 477 . 1 1 57 57 ARG N N 15 115.700 0.100 . 1 . . . . 57 ARG N . 6786 1 478 . 1 1 58 58 LEU H H 1 6.823 0.010 . 1 . . . . 58 LEU HN . 6786 1 479 . 1 1 58 58 LEU HA H 1 3.493 0.010 . 1 . . . . 58 LEU HA . 6786 1 480 . 1 1 58 58 LEU HB2 H 1 1.297 0.010 . 1 . . . . 58 LEU HB . 6786 1 481 . 1 1 58 58 LEU HB3 H 1 1.297 0.010 . 1 . . . . 58 LEU HB . 6786 1 482 . 1 1 58 58 LEU HG H 1 0.801 0.010 . 1 . . . . 58 LEU HG . 6786 1 483 . 1 1 58 58 LEU HD11 H 1 0.442 0.010 . 1 . . . . 58 LEU HD1 . 6786 1 484 . 1 1 58 58 LEU HD12 H 1 0.442 0.010 . 1 . . . . 58 LEU HD1 . 6786 1 485 . 1 1 58 58 LEU HD13 H 1 0.442 0.010 . 1 . . . . 58 LEU HD1 . 6786 1 486 . 1 1 58 58 LEU HD21 H 1 0.305 0.010 . 1 . . . . 58 LEU HD2 . 6786 1 487 . 1 1 58 58 LEU HD22 H 1 0.305 0.010 . 1 . . . . 58 LEU HD2 . 6786 1 488 . 1 1 58 58 LEU HD23 H 1 0.305 0.010 . 1 . . . . 58 LEU HD2 . 6786 1 489 . 1 1 58 58 LEU C C 13 179.013 0.100 . 1 . . . . 58 LEU C . 6786 1 490 . 1 1 58 58 LEU CA C 13 57.763 0.100 . 1 . . . . 58 LEU CA . 6786 1 491 . 1 1 58 58 LEU CB C 13 42.460 0.100 . 1 . . . . 58 LEU CB . 6786 1 492 . 1 1 58 58 LEU CG C 13 26.564 0.100 . 1 . . . . 58 LEU CG . 6786 1 493 . 1 1 58 58 LEU CD1 C 13 24.550 0.100 . 1 . . . . 58 LEU CD1 . 6786 1 494 . 1 1 58 58 LEU CD2 C 13 25.487 0.100 . 1 . . . . 58 LEU CD2 . 6786 1 495 . 1 1 58 58 LEU N N 15 117.406 0.100 . 1 . . . . 58 LEU N . 6786 1 496 . 1 1 59 59 PHE H H 1 7.004 0.010 . 1 . . . . 59 PHE HN . 6786 1 497 . 1 1 59 59 PHE HA H 1 4.331 0.010 . 1 . . . . 59 PHE HA . 6786 1 498 . 1 1 59 59 PHE HB2 H 1 2.923 0.010 . 1 . . . . 59 PHE HB . 6786 1 499 . 1 1 59 59 PHE HB3 H 1 2.923 0.010 . 1 . . . . 59 PHE HB . 6786 1 500 . 1 1 59 59 PHE C C 13 179.335 0.100 . 1 . . . . 59 PHE C . 6786 1 501 . 1 1 59 59 PHE CA C 13 62.197 0.100 . 1 . . . . 59 PHE CA . 6786 1 502 . 1 1 59 59 PHE CB C 13 41.674 0.100 . 1 . . . . 59 PHE CB . 6786 1 503 . 1 1 59 59 PHE N N 15 110.444 0.100 . 1 . . . . 59 PHE N . 6786 1 504 . 1 1 60 60 TRP H H 1 8.526 0.010 . 1 . . . . 60 TRP HN . 6786 1 505 . 1 1 60 60 TRP HA H 1 4.527 0.010 . 1 . . . . 60 TRP HA . 6786 1 506 . 1 1 60 60 TRP HB2 H 1 3.777 0.010 . 1 . . . . 60 TRP HB2 . 6786 1 507 . 1 1 60 60 TRP HB3 H 1 3.382 0.010 . 1 . . . . 60 TRP HB3 . 6786 1 508 . 1 1 60 60 TRP C C 13 178.176 0.100 . 1 . . . . 60 TRP C . 6786 1 509 . 1 1 60 60 TRP CA C 13 60.480 0.100 . 1 . . . . 60 TRP CA . 6786 1 510 . 1 1 60 60 TRP CB C 13 25.304 0.100 . 1 . . . . 60 TRP CB . 6786 1 511 . 1 1 60 60 TRP N N 15 116.320 0.100 . 1 . . . . 60 TRP N . 6786 1 512 . 1 1 61 61 GLN H H 1 6.842 0.010 . 1 . . . . 61 GLN HN . 6786 1 513 . 1 1 61 61 GLN HA H 1 4.378 0.010 . 1 . . . . 61 GLN HA . 6786 1 514 . 1 1 61 61 GLN HB2 H 1 2.176 0.010 . 1 . . . . 61 GLN HB2 . 6786 1 515 . 1 1 61 61 GLN HB3 H 1 1.831 0.010 . 1 . . . . 61 GLN HB3 . 6786 1 516 . 1 1 61 61 GLN HG2 H 1 2.406 0.010 . 1 . . . . 61 GLN HG2 . 6786 1 517 . 1 1 61 61 GLN HG3 H 1 2.183 0.010 . 1 . . . . 61 GLN HG3 . 6786 1 518 . 1 1 61 61 GLN C C 13 176.663 0.100 . 1 . . . . 61 GLN C . 6786 1 519 . 1 1 61 61 GLN CA C 13 56.476 0.100 . 1 . . . . 61 GLN CA . 6786 1 520 . 1 1 61 61 GLN CB C 13 31.097 0.100 . 1 . . . . 61 GLN CB . 6786 1 521 . 1 1 61 61 GLN CG C 13 35.769 0.100 . 1 . . . . 61 GLN CG . 6786 1 522 . 1 1 61 61 GLN N N 15 118.022 0.100 . 1 . . . . 61 GLN N . 6786 1 523 . 1 1 62 62 LEU H H 1 7.378 0.010 . 1 . . . . 62 LEU HN . 6786 1 524 . 1 1 62 62 LEU HA H 1 4.453 0.010 . 1 . . . . 62 LEU HA . 6786 1 525 . 1 1 62 62 LEU HD11 H 1 0.705 0.010 . 1 . . . . 62 LEU HD1 . 6786 1 526 . 1 1 62 62 LEU HD12 H 1 0.705 0.010 . 1 . . . . 62 LEU HD1 . 6786 1 527 . 1 1 62 62 LEU HD13 H 1 0.705 0.010 . 1 . . . . 62 LEU HD1 . 6786 1 528 . 1 1 62 62 LEU C C 13 175.500 0.100 . 1 . . . . 62 LEU C . 6786 1 529 . 1 1 62 62 LEU CA C 13 53.400 0.100 . 1 . . . . 62 LEU CA . 6786 1 530 . 1 1 62 62 LEU CB C 13 41.790 0.100 . 1 . . . . 62 LEU CB . 6786 1 531 . 1 1 62 62 LEU CD1 C 13 22.831 0.100 . 1 . . . . 62 LEU CD1 . 6786 1 532 . 1 1 62 62 LEU N N 15 122.241 0.100 . 1 . . . . 62 LEU N . 6786 1 533 . 1 1 63 63 PRO C C 13 176.845 0.100 . 1 . . . . 63 PRO C . 6786 1 534 . 1 1 63 63 PRO CA C 13 63.951 0.100 . 1 . . . . 63 PRO CA . 6786 1 535 . 1 1 63 63 PRO CB C 13 31.747 0.100 . 1 . . . . 63 PRO CB . 6786 1 536 . 1 1 63 63 PRO CG C 13 28.412 0.100 . 1 . . . . 63 PRO CG . 6786 1 537 . 1 1 64 64 GLY H H 1 8.580 0.010 . 1 . . . . 64 GLY HN . 6786 1 538 . 1 1 64 64 GLY HA2 H 1 4.315 0.010 . 1 . . . . 64 GLY HA1 . 6786 1 539 . 1 1 64 64 GLY HA3 H 1 3.543 0.010 . 1 . . . . 64 GLY HA2 . 6786 1 540 . 1 1 64 64 GLY C C 13 175.731 0.100 . 1 . . . . 64 GLY C . 6786 1 541 . 1 1 64 64 GLY CA C 13 46.455 0.100 . 1 . . . . 64 GLY CA . 6786 1 542 . 1 1 64 64 GLY N N 15 109.364 0.100 . 1 . . . . 64 GLY N . 6786 1 543 . 1 1 65 65 VAL H H 1 7.683 0.010 . 1 . . . . 65 VAL HN . 6786 1 544 . 1 1 65 65 VAL HA H 1 4.085 0.010 . 1 . . . . 65 VAL HA . 6786 1 545 . 1 1 65 65 VAL HB H 1 2.427 0.010 . 1 . . . . 65 VAL HB . 6786 1 546 . 1 1 65 65 VAL HG11 H 1 0.890 0.010 . 1 . . . . 65 VAL HG1 . 6786 1 547 . 1 1 65 65 VAL HG12 H 1 0.890 0.010 . 1 . . . . 65 VAL HG1 . 6786 1 548 . 1 1 65 65 VAL HG13 H 1 0.890 0.010 . 1 . . . . 65 VAL HG1 . 6786 1 549 . 1 1 65 65 VAL HG21 H 1 1.050 0.010 . 1 . . . . 65 VAL HG2 . 6786 1 550 . 1 1 65 65 VAL HG22 H 1 1.050 0.010 . 1 . . . . 65 VAL HG2 . 6786 1 551 . 1 1 65 65 VAL HG23 H 1 1.050 0.010 . 1 . . . . 65 VAL HG2 . 6786 1 552 . 1 1 65 65 VAL C C 13 175.916 0.100 . 1 . . . . 65 VAL C . 6786 1 553 . 1 1 65 65 VAL CA C 13 64.617 0.100 . 1 . . . . 65 VAL CA . 6786 1 554 . 1 1 65 65 VAL CB C 13 31.806 0.100 . 1 . . . . 65 VAL CB . 6786 1 555 . 1 1 65 65 VAL CG1 C 13 23.029 0.100 . 1 . . . . 65 VAL CG1 . 6786 1 556 . 1 1 65 65 VAL CG2 C 13 23.769 0.100 . 1 . . . . 65 VAL CG2 . 6786 1 557 . 1 1 65 65 VAL N N 15 122.900 0.100 . 1 . . . . 65 VAL N . 6786 1 558 . 1 1 66 66 TYR H H 1 9.601 0.010 . 1 . . . . 66 TYR HN . 6786 1 559 . 1 1 66 66 TYR HA H 1 4.308 0.010 . 1 . . . . 66 TYR HA . 6786 1 560 . 1 1 66 66 TYR HB2 H 1 3.106 0.010 . 1 . . . . 66 TYR HB2 . 6786 1 561 . 1 1 66 66 TYR HB3 H 1 2.539 0.010 . 1 . . . . 66 TYR HB3 . 6786 1 562 . 1 1 66 66 TYR C C 13 176.934 0.100 . 1 . . . . 66 TYR C . 6786 1 563 . 1 1 66 66 TYR CA C 13 60.585 0.100 . 1 . . . . 66 TYR CA . 6786 1 564 . 1 1 66 66 TYR CB C 13 41.425 0.100 . 1 . . . . 66 TYR CB . 6786 1 565 . 1 1 66 66 TYR N N 15 132.859 0.100 . 1 . . . . 66 TYR N . 6786 1 566 . 1 1 67 67 SER H H 1 8.220 0.010 . 1 . . . . 67 SER HN . 6786 1 567 . 1 1 67 67 SER HA H 1 3.957 0.010 . 1 . . . . 67 SER HA . 6786 1 568 . 1 1 67 67 SER HB2 H 1 3.767 0.010 . 1 . . . . 67 SER HB . 6786 1 569 . 1 1 67 67 SER HB3 H 1 3.767 0.010 . 1 . . . . 67 SER HB . 6786 1 570 . 1 1 67 67 SER C C 13 171.735 0.100 . 1 . . . . 67 SER C . 6786 1 571 . 1 1 67 67 SER CA C 13 58.047 0.100 . 1 . . . . 67 SER CA . 6786 1 572 . 1 1 67 67 SER CB C 13 65.336 0.100 . 1 . . . . 67 SER CB . 6786 1 573 . 1 1 67 67 SER N N 15 111.473 0.100 . 1 . . . . 67 SER N . 6786 1 574 . 1 1 68 68 THR H H 1 7.003 0.010 . 1 . . . . 68 THR HN . 6786 1 575 . 1 1 68 68 THR HA H 1 5.619 0.010 . 1 . . . . 68 THR HA . 6786 1 576 . 1 1 68 68 THR HB H 1 4.414 0.010 . 1 . . . . 68 THR HB . 6786 1 577 . 1 1 68 68 THR HG21 H 1 1.322 0.010 . 1 . . . . 68 THR HG2 . 6786 1 578 . 1 1 68 68 THR HG22 H 1 1.322 0.010 . 1 . . . . 68 THR HG2 . 6786 1 579 . 1 1 68 68 THR HG23 H 1 1.322 0.010 . 1 . . . . 68 THR HG2 . 6786 1 580 . 1 1 68 68 THR C C 13 172.761 0.100 . 1 . . . . 68 THR C . 6786 1 581 . 1 1 68 68 THR CA C 13 60.671 0.100 . 1 . . . . 68 THR CA . 6786 1 582 . 1 1 68 68 THR CB C 13 73.190 0.100 . 1 . . . . 68 THR CB . 6786 1 583 . 1 1 68 68 THR CG2 C 13 23.456 0.100 . 1 . . . . 68 THR CG2 . 6786 1 584 . 1 1 68 68 THR N N 15 110.084 0.100 . 1 . . . . 68 THR N . 6786 1 585 . 1 1 69 69 ALA H H 1 8.044 0.010 . 1 . . . . 69 ALA HN . 6786 1 586 . 1 1 69 69 ALA HA H 1 4.794 0.010 . 1 . . . . 69 ALA HA . 6786 1 587 . 1 1 69 69 ALA HB1 H 1 1.366 0.010 . 1 . . . . 69 ALA HB . 6786 1 588 . 1 1 69 69 ALA HB2 H 1 1.366 0.010 . 1 . . . . 69 ALA HB . 6786 1 589 . 1 1 69 69 ALA HB3 H 1 1.366 0.010 . 1 . . . . 69 ALA HB . 6786 1 590 . 1 1 69 69 ALA C C 13 176.434 0.100 . 1 . . . . 69 ALA C . 6786 1 591 . 1 1 69 69 ALA CA C 13 52.118 0.100 . 1 . . . . 69 ALA CA . 6786 1 592 . 1 1 69 69 ALA CB C 13 24.001 0.100 . 1 . . . . 69 ALA CB . 6786 1 593 . 1 1 69 69 ALA N N 15 117.001 0.100 . 1 . . . . 69 ALA N . 6786 1 594 . 1 1 70 70 ALA H H 1 9.354 0.010 . 1 . . . . 70 ALA HN . 6786 1 595 . 1 1 70 70 ALA HA H 1 4.655 0.010 . 1 . . . . 70 ALA HA . 6786 1 596 . 1 1 70 70 ALA HB1 H 1 0.272 0.010 . 1 . . . . 70 ALA HB . 6786 1 597 . 1 1 70 70 ALA HB2 H 1 0.272 0.010 . 1 . . . . 70 ALA HB . 6786 1 598 . 1 1 70 70 ALA HB3 H 1 0.272 0.010 . 1 . . . . 70 ALA HB . 6786 1 599 . 1 1 70 70 ALA C C 13 178.537 0.100 . 1 . . . . 70 ALA C . 6786 1 600 . 1 1 70 70 ALA CA C 13 50.947 0.100 . 1 . . . . 70 ALA CA . 6786 1 601 . 1 1 70 70 ALA CB C 13 18.069 0.100 . 1 . . . . 70 ALA CB . 6786 1 602 . 1 1 70 70 ALA N N 15 126.329 0.100 . 1 . . . . 70 ALA N . 6786 1 603 . 1 1 71 71 GLY H H 1 8.811 0.010 . 1 . . . . 71 GLY HN . 6786 1 604 . 1 1 71 71 GLY HA2 H 1 3.440 0.010 . 1 . . . . 71 GLY HA1 . 6786 1 605 . 1 1 71 71 GLY HA3 H 1 3.175 0.010 . 1 . . . . 71 GLY HA2 . 6786 1 606 . 1 1 71 71 GLY C C 13 169.862 0.100 . 1 . . . . 71 GLY C . 6786 1 607 . 1 1 71 71 GLY CA C 13 47.571 0.100 . 1 . . . . 71 GLY CA . 6786 1 608 . 1 1 71 71 GLY N N 15 112.264 0.100 . 1 . . . . 71 GLY N . 6786 1 609 . 1 1 72 72 TYR H H 1 8.686 0.010 . 1 . . . . 72 TYR HN . 6786 1 610 . 1 1 72 72 TYR HA H 1 5.519 0.010 . 1 . . . . 72 TYR HA . 6786 1 611 . 1 1 72 72 TYR C C 13 175.216 0.100 . 1 . . . . 72 TYR C . 6786 1 612 . 1 1 72 72 TYR CA C 13 53.405 0.100 . 1 . . . . 72 TYR CA . 6786 1 613 . 1 1 72 72 TYR CB C 13 41.531 0.100 . 1 . . . . 72 TYR CB . 6786 1 614 . 1 1 72 72 TYR N N 15 119.924 0.100 . 1 . . . . 72 TYR N . 6786 1 615 . 1 1 73 73 THR H H 1 8.448 0.010 . 1 . . . . 73 THR HN . 6786 1 616 . 1 1 73 73 THR HA H 1 4.487 0.010 . 1 . . . . 73 THR HA . 6786 1 617 . 1 1 73 73 THR HB H 1 3.828 0.010 . 1 . . . . 73 THR HB . 6786 1 618 . 1 1 73 73 THR HG21 H 1 0.328 0.010 . 1 . . . . 73 THR HG2 . 6786 1 619 . 1 1 73 73 THR HG22 H 1 0.328 0.010 . 1 . . . . 73 THR HG2 . 6786 1 620 . 1 1 73 73 THR HG23 H 1 0.328 0.010 . 1 . . . . 73 THR HG2 . 6786 1 621 . 1 1 73 73 THR C C 13 172.874 0.100 . 1 . . . . 73 THR C . 6786 1 622 . 1 1 73 73 THR CA C 13 62.340 0.100 . 1 . . . . 73 THR CA . 6786 1 623 . 1 1 73 73 THR CB C 13 69.347 0.100 . 1 . . . . 73 THR CB . 6786 1 624 . 1 1 73 73 THR N N 15 116.080 0.100 . 1 . . . . 73 THR N . 6786 1 625 . 1 1 74 74 GLY H H 1 7.471 0.010 . 1 . . . . 74 GLY HN . 6786 1 626 . 1 1 74 74 GLY HA2 H 1 4.044 0.010 . 1 . . . . 74 GLY HA1 . 6786 1 627 . 1 1 74 74 GLY HA3 H 1 3.483 0.010 . 1 . . . . 74 GLY HA2 . 6786 1 628 . 1 1 74 74 GLY C C 13 174.339 0.100 . 1 . . . . 74 GLY C . 6786 1 629 . 1 1 74 74 GLY CA C 13 44.530 0.100 . 1 . . . . 74 GLY CA . 6786 1 630 . 1 1 74 74 GLY N N 15 108.702 0.100 . 1 . . . . 74 GLY N . 6786 1 631 . 1 1 75 75 GLY H H 1 8.904 0.010 . 1 . . . . 75 GLY HN . 6786 1 632 . 1 1 75 75 GLY C C 13 174.418 0.100 . 1 . . . . 75 GLY C . 6786 1 633 . 1 1 75 75 GLY CA C 13 41.988 0.100 . 1 . . . . 75 GLY CA . 6786 1 634 . 1 1 75 75 GLY N N 15 112.000 0.100 . 1 . . . . 75 GLY N . 6786 1 635 . 1 1 76 76 TYR H H 1 7.563 0.010 . 1 . . . . 76 TYR HN . 6786 1 636 . 1 1 76 76 TYR HA H 1 4.577 0.010 . 1 . . . . 76 TYR HA . 6786 1 637 . 1 1 76 76 TYR HB2 H 1 2.128 0.010 . 1 . . . . 76 TYR HB . 6786 1 638 . 1 1 76 76 TYR HB3 H 1 2.128 0.010 . 1 . . . . 76 TYR HB . 6786 1 639 . 1 1 76 76 TYR C C 13 176.667 0.100 . 1 . . . . 76 TYR C . 6786 1 640 . 1 1 76 76 TYR CA C 13 58.522 0.100 . 1 . . . . 76 TYR CA . 6786 1 641 . 1 1 76 76 TYR CB C 13 41.431 0.100 . 1 . . . . 76 TYR CB . 6786 1 642 . 1 1 76 76 TYR N N 15 118.241 0.100 . 1 . . . . 76 TYR N . 6786 1 643 . 1 1 77 77 THR H H 1 6.518 0.010 . 1 . . . . 77 THR HN . 6786 1 644 . 1 1 77 77 THR HA H 1 4.066 0.010 . 1 . . . . 77 THR HA . 6786 1 645 . 1 1 77 77 THR HB H 1 3.295 0.010 . 1 . . . . 77 THR HB . 6786 1 646 . 1 1 77 77 THR HG21 H 1 0.821 0.010 . 1 . . . . 77 THR HG2 . 6786 1 647 . 1 1 77 77 THR HG22 H 1 0.821 0.010 . 1 . . . . 77 THR HG2 . 6786 1 648 . 1 1 77 77 THR HG23 H 1 0.821 0.010 . 1 . . . . 77 THR HG2 . 6786 1 649 . 1 1 77 77 THR C C 13 173.022 0.100 . 1 . . . . 77 THR C . 6786 1 650 . 1 1 77 77 THR CA C 13 62.300 0.100 . 1 . . . . 77 THR CA . 6786 1 651 . 1 1 77 77 THR CB C 13 72.540 0.100 . 1 . . . . 77 THR CB . 6786 1 652 . 1 1 77 77 THR N N 15 116.527 0.100 . 1 . . . . 77 THR N . 6786 1 653 . 1 1 80 80 PRO C C 13 175.144 0.100 . 1 . . . . 80 PRO C . 6786 1 654 . 1 1 80 80 PRO CA C 13 62.810 0.100 . 1 . . . . 80 PRO CA . 6786 1 655 . 1 1 80 80 PRO CB C 13 34.139 0.100 . 1 . . . . 80 PRO CB . 6786 1 656 . 1 1 81 81 THR H H 1 8.110 0.010 . 1 . . . . 81 THR HN . 6786 1 657 . 1 1 81 81 THR HA H 1 4.630 0.010 . 1 . . . . 81 THR HA . 6786 1 658 . 1 1 81 81 THR HG21 H 1 1.087 0.010 . 1 . . . . 81 THR HG2 . 6786 1 659 . 1 1 81 81 THR HG22 H 1 1.087 0.010 . 1 . . . . 81 THR HG2 . 6786 1 660 . 1 1 81 81 THR HG23 H 1 1.087 0.010 . 1 . . . . 81 THR HG2 . 6786 1 661 . 1 1 81 81 THR C C 13 176.249 0.100 . 1 . . . . 81 THR C . 6786 1 662 . 1 1 81 81 THR CA C 13 59.085 0.100 . 1 . . . . 81 THR CA . 6786 1 663 . 1 1 81 81 THR CB C 13 72.302 0.100 . 1 . . . . 81 THR CB . 6786 1 664 . 1 1 81 81 THR N N 15 106.704 0.100 . 1 . . . . 81 THR N . 6786 1 665 . 1 1 82 82 TYR H H 1 11.635 0.010 . 1 . . . . 82 TYR HN . 6786 1 666 . 1 1 82 82 TYR HA H 1 3.710 0.010 . 1 . . . . 82 TYR HA . 6786 1 667 . 1 1 82 82 TYR HB2 H 1 2.879 0.010 . 1 . . . . 82 TYR HB . 6786 1 668 . 1 1 82 82 TYR HB3 H 1 2.879 0.010 . 1 . . . . 82 TYR HB . 6786 1 669 . 1 1 82 82 TYR C C 13 180.154 0.100 . 1 . . . . 82 TYR C . 6786 1 670 . 1 1 82 82 TYR CA C 13 63.620 0.100 . 1 . . . . 82 TYR CA . 6786 1 671 . 1 1 82 82 TYR CB C 13 38.198 0.100 . 1 . . . . 82 TYR CB . 6786 1 672 . 1 1 82 82 TYR N N 15 125.770 0.100 . 1 . . . . 82 TYR N . 6786 1 673 . 1 1 83 83 ARG H H 1 8.349 0.010 . 1 . . . . 83 ARG HN . 6786 1 674 . 1 1 83 83 ARG HA H 1 3.729 0.010 . 1 . . . . 83 ARG HA . 6786 1 675 . 1 1 83 83 ARG C C 13 180.365 0.100 . 1 . . . . 83 ARG C . 6786 1 676 . 1 1 83 83 ARG CA C 13 59.367 0.100 . 1 . . . . 83 ARG CA . 6786 1 677 . 1 1 83 83 ARG CB C 13 30.348 0.100 . 1 . . . . 83 ARG CB . 6786 1 678 . 1 1 83 83 ARG CG C 13 28.030 0.100 . 1 . . . . 83 ARG CG . 6786 1 679 . 1 1 83 83 ARG CD C 13 45.537 0.100 . 1 . . . . 83 ARG CD . 6786 1 680 . 1 1 83 83 ARG N N 15 118.662 0.100 . 1 . . . . 83 ARG N . 6786 1 681 . 1 1 84 84 GLU H H 1 7.435 0.010 . 1 . . . . 84 GLU HN . 6786 1 682 . 1 1 84 84 GLU HA H 1 3.701 0.010 . 1 . . . . 84 GLU HA . 6786 1 683 . 1 1 84 84 GLU C C 13 180.977 0.100 . 1 . . . . 84 GLU C . 6786 1 684 . 1 1 84 84 GLU CA C 13 59.336 0.100 . 1 . . . . 84 GLU CA . 6786 1 685 . 1 1 84 84 GLU CB C 13 29.875 0.100 . 1 . . . . 84 GLU CB . 6786 1 686 . 1 1 84 84 GLU CG C 13 37.676 0.100 . 1 . . . . 84 GLU CG . 6786 1 687 . 1 1 84 84 GLU N N 15 119.203 0.100 . 1 . . . . 84 GLU N . 6786 1 688 . 1 1 85 85 VAL H H 1 8.555 0.010 . 1 . . . . 85 VAL HN . 6786 1 689 . 1 1 85 85 VAL HA H 1 3.264 0.010 . 1 . . . . 85 VAL HA . 6786 1 690 . 1 1 85 85 VAL HB H 1 1.351 0.010 . 1 . . . . 85 VAL HB . 6786 1 691 . 1 1 85 85 VAL HG11 H 1 0.418 0.010 . 1 . . . . 85 VAL HG1 . 6786 1 692 . 1 1 85 85 VAL HG12 H 1 0.418 0.010 . 1 . . . . 85 VAL HG1 . 6786 1 693 . 1 1 85 85 VAL HG13 H 1 0.418 0.010 . 1 . . . . 85 VAL HG1 . 6786 1 694 . 1 1 85 85 VAL HG21 H 1 0.003 0.010 . 1 . . . . 85 VAL HG2 . 6786 1 695 . 1 1 85 85 VAL HG22 H 1 0.003 0.010 . 1 . . . . 85 VAL HG2 . 6786 1 696 . 1 1 85 85 VAL HG23 H 1 0.003 0.010 . 1 . . . . 85 VAL HG2 . 6786 1 697 . 1 1 85 85 VAL C C 13 180.913 0.100 . 1 . . . . 85 VAL C . 6786 1 698 . 1 1 85 85 VAL CA C 13 66.207 0.100 . 1 . . . . 85 VAL CA . 6786 1 699 . 1 1 85 85 VAL CB C 13 31.377 0.100 . 1 . . . . 85 VAL CB . 6786 1 700 . 1 1 85 85 VAL CG1 C 13 20.644 0.100 . 1 . . . . 85 VAL CG1 . 6786 1 701 . 1 1 85 85 VAL CG2 C 13 21.581 0.100 . 1 . . . . 85 VAL CG2 . 6786 1 702 . 1 1 85 85 VAL N N 15 123.083 0.100 . 1 . . . . 85 VAL N . 6786 1 703 . 1 1 86 86 SER H H 1 8.451 0.010 . 1 . . . . 86 CYS HN . 6786 1 704 . 1 1 86 86 SER HA H 1 3.480 0.010 . 1 . . . . 86 CYS HA . 6786 1 705 . 1 1 86 86 SER C C 13 174.563 0.100 . 1 . . . . 86 CYS C . 6786 1 706 . 1 1 86 86 SER CA C 13 60.909 0.100 . 1 . . . . 86 CYS CA . 6786 1 707 . 1 1 86 86 SER CB C 13 63.412 0.100 . 1 . . . . 86 CYS CB . 6786 1 708 . 1 1 86 86 SER N N 15 116.349 0.100 . 1 . . . . 86 CYS N . 6786 1 709 . 1 1 87 87 SER H H 1 7.184 0.010 . 1 . . . . 87 SER HN . 6786 1 710 . 1 1 87 87 SER HA H 1 4.152 0.010 . 1 . . . . 87 SER HA . 6786 1 711 . 1 1 87 87 SER HB2 H 1 3.999 0.010 . 1 . . . . 87 SER HB . 6786 1 712 . 1 1 87 87 SER HB3 H 1 3.999 0.010 . 1 . . . . 87 SER HB . 6786 1 713 . 1 1 87 87 SER C C 13 175.923 0.100 . 1 . . . . 87 SER C . 6786 1 714 . 1 1 87 87 SER CA C 13 60.838 0.100 . 1 . . . . 87 SER CA . 6786 1 715 . 1 1 87 87 SER CB C 13 65.557 0.100 . 1 . . . . 87 SER CB . 6786 1 716 . 1 1 87 87 SER N N 15 115.560 0.100 . 1 . . . . 87 SER N . 6786 1 717 . 1 1 88 88 GLY H H 1 7.431 0.010 . 1 . . . . 88 GLY HN . 6786 1 718 . 1 1 88 88 GLY HA2 H 1 4.413 0.010 . 1 . . . . 88 GLY HA1 . 6786 1 719 . 1 1 88 88 GLY HA3 H 1 3.465 0.010 . 1 . . . . 88 GLY HA2 . 6786 1 720 . 1 1 88 88 GLY C C 13 176.148 0.100 . 1 . . . . 88 GLY C . 6786 1 721 . 1 1 88 88 GLY CA C 13 47.132 0.100 . 1 . . . . 88 GLY CA . 6786 1 722 . 1 1 88 88 GLY N N 15 108.725 0.100 . 1 . . . . 88 GLY N . 6786 1 723 . 1 1 89 89 ASP H H 1 8.108 0.010 . 1 . . . . 89 ASP HN . 6786 1 724 . 1 1 89 89 ASP HA H 1 4.688 0.010 . 1 . . . . 89 ASP HA . 6786 1 725 . 1 1 89 89 ASP HB2 H 1 3.017 0.010 . 1 . . . . 89 ASP HB2 . 6786 1 726 . 1 1 89 89 ASP HB3 H 1 2.445 0.010 . 1 . . . . 89 ASP HB3 . 6786 1 727 . 1 1 89 89 ASP C C 13 176.295 0.100 . 1 . . . . 89 ASP C . 6786 1 728 . 1 1 89 89 ASP CA C 13 56.460 0.100 . 1 . . . . 89 ASP CA . 6786 1 729 . 1 1 89 89 ASP CB C 13 40.170 0.100 . 1 . . . . 89 ASP CB . 6786 1 730 . 1 1 89 89 ASP N N 15 118.190 0.100 . 1 . . . . 89 ASP N . 6786 1 731 . 1 1 90 90 THR H H 1 8.164 0.010 . 1 . . . . 90 THR HN . 6786 1 732 . 1 1 90 90 THR HA H 1 5.208 0.010 . 1 . . . . 90 THR HA . 6786 1 733 . 1 1 90 90 THR HB H 1 3.714 0.010 . 1 . . . . 90 THR HB . 6786 1 734 . 1 1 90 90 THR HG21 H 1 0.891 0.010 . 1 . . . . 90 THR HG2 . 6786 1 735 . 1 1 90 90 THR HG22 H 1 0.891 0.010 . 1 . . . . 90 THR HG2 . 6786 1 736 . 1 1 90 90 THR HG23 H 1 0.891 0.010 . 1 . . . . 90 THR HG2 . 6786 1 737 . 1 1 90 90 THR C C 13 176.457 0.100 . 1 . . . . 90 THR C . 6786 1 738 . 1 1 90 90 THR CA C 13 62.116 0.100 . 1 . . . . 90 THR CA . 6786 1 739 . 1 1 90 90 THR CB C 13 71.789 0.100 . 1 . . . . 90 THR CB . 6786 1 740 . 1 1 90 90 THR N N 15 105.760 0.100 . 1 . . . . 90 THR N . 6786 1 741 . 1 1 91 91 GLY H H 1 6.699 0.010 . 1 . . . . 91 GLY HN . 6786 1 742 . 1 1 91 91 GLY C C 13 174.082 0.100 . 1 . . . . 91 GLY C . 6786 1 743 . 1 1 91 91 GLY CA C 13 46.440 0.100 . 1 . . . . 91 GLY CA . 6786 1 744 . 1 1 91 91 GLY N N 15 109.355 0.100 . 1 . . . . 91 GLY N . 6786 1 745 . 1 1 92 92 HIS H H 1 8.007 0.010 . 1 . . . . 92 HIS HN . 6786 1 746 . 1 1 92 92 HIS C C 13 175.674 0.100 . 1 . . . . 92 HIS C . 6786 1 747 . 1 1 92 92 HIS CA C 13 57.103 0.100 . 1 . . . . 92 HIS CA . 6786 1 748 . 1 1 92 92 HIS CB C 13 33.464 0.100 . 1 . . . . 92 HIS CB . 6786 1 749 . 1 1 92 92 HIS N N 15 120.922 0.100 . 1 . . . . 92 HIS N . 6786 1 750 . 1 1 93 93 ALA H H 1 9.486 0.010 . 1 . . . . 93 ALA HN . 6786 1 751 . 1 1 93 93 ALA HA H 1 4.528 0.010 . 1 . . . . 93 ALA HA . 6786 1 752 . 1 1 93 93 ALA HB1 H 1 1.208 0.010 . 1 . . . . 93 ALA HB . 6786 1 753 . 1 1 93 93 ALA HB2 H 1 1.208 0.010 . 1 . . . . 93 ALA HB . 6786 1 754 . 1 1 93 93 ALA HB3 H 1 1.208 0.010 . 1 . . . . 93 ALA HB . 6786 1 755 . 1 1 93 93 ALA C C 13 178.866 0.100 . 1 . . . . 93 ALA C . 6786 1 756 . 1 1 93 93 ALA CA C 13 50.632 0.100 . 1 . . . . 93 ALA CA . 6786 1 757 . 1 1 93 93 ALA CB C 13 20.995 0.100 . 1 . . . . 93 ALA CB . 6786 1 758 . 1 1 93 93 ALA N N 15 122.285 0.100 . 1 . . . . 93 ALA N . 6786 1 759 . 1 1 94 94 GLU H H 1 9.079 0.010 . 1 . . . . 94 GLU HN . 6786 1 760 . 1 1 94 94 GLU C C 13 177.506 0.100 . 1 . . . . 94 GLU C . 6786 1 761 . 1 1 94 94 GLU CA C 13 58.764 0.100 . 1 . . . . 94 GLU CA . 6786 1 762 . 1 1 94 94 GLU N N 15 120.087 0.100 . 1 . . . . 94 GLU N . 6786 1 763 . 1 1 95 95 ALA H H 1 9.588 0.010 . 1 . . . . 95 ALA HN . 6786 1 764 . 1 1 95 95 ALA HA H 1 5.489 0.010 . 1 . . . . 95 ALA HA . 6786 1 765 . 1 1 95 95 ALA HB1 H 1 1.210 0.010 . 1 . . . . 95 ALA HB . 6786 1 766 . 1 1 95 95 ALA HB2 H 1 1.210 0.010 . 1 . . . . 95 ALA HB . 6786 1 767 . 1 1 95 95 ALA HB3 H 1 1.210 0.010 . 1 . . . . 95 ALA HB . 6786 1 768 . 1 1 95 95 ALA C C 13 175.094 0.100 . 1 . . . . 95 ALA C . 6786 1 769 . 1 1 95 95 ALA CA C 13 51.346 0.100 . 1 . . . . 95 ALA CA . 6786 1 770 . 1 1 95 95 ALA CB C 13 25.749 0.100 . 1 . . . . 95 ALA CB . 6786 1 771 . 1 1 95 95 ALA N N 15 130.108 0.100 . 1 . . . . 95 ALA N . 6786 1 772 . 1 1 96 96 VAL H H 1 8.894 0.010 . 1 . . . . 96 VAL HN . 6786 1 773 . 1 1 96 96 VAL HA H 1 5.327 0.010 . 1 . . . . 96 VAL HA . 6786 1 774 . 1 1 96 96 VAL HB H 1 1.793 0.010 . 1 . . . . 96 VAL HB . 6786 1 775 . 1 1 96 96 VAL HG11 H 1 0.979 0.010 . 1 . . . . 96 VAL HG . 6786 1 776 . 1 1 96 96 VAL HG12 H 1 0.979 0.010 . 1 . . . . 96 VAL HG . 6786 1 777 . 1 1 96 96 VAL HG13 H 1 0.979 0.010 . 1 . . . . 96 VAL HG . 6786 1 778 . 1 1 96 96 VAL HG21 H 1 0.979 0.010 . 1 . . . . 96 VAL HG . 6786 1 779 . 1 1 96 96 VAL HG22 H 1 0.979 0.010 . 1 . . . . 96 VAL HG . 6786 1 780 . 1 1 96 96 VAL HG23 H 1 0.979 0.010 . 1 . . . . 96 VAL HG . 6786 1 781 . 1 1 96 96 VAL C C 13 173.400 0.100 . 1 . . . . 96 VAL C . 6786 1 782 . 1 1 96 96 VAL CA C 13 59.800 0.100 . 1 . . . . 96 VAL CA . 6786 1 783 . 1 1 96 96 VAL CB C 13 36.650 0.100 . 1 . . . . 96 VAL CB . 6786 1 784 . 1 1 96 96 VAL CG1 C 13 22.675 0.100 . 1 . . . . 96 VAL CG . 6786 1 785 . 1 1 96 96 VAL N N 15 113.846 0.100 . 1 . . . . 96 VAL N . 6786 1 786 . 1 1 97 97 ARG H H 1 8.367 0.010 . 1 . . . . 97 ARG HN . 6786 1 787 . 1 1 97 97 ARG HA H 1 4.312 0.010 . 1 . . . . 97 ARG HA . 6786 1 788 . 1 1 97 97 ARG C C 13 175.593 0.100 . 1 . . . . 97 ARG C . 6786 1 789 . 1 1 97 97 ARG CA C 13 54.058 0.100 . 1 . . . . 97 ARG CA . 6786 1 790 . 1 1 97 97 ARG CB C 13 32.533 0.100 . 1 . . . . 97 ARG CB . 6786 1 791 . 1 1 97 97 ARG N N 15 125.537 0.100 . 1 . . . . 97 ARG N . 6786 1 792 . 1 1 98 98 ILE H H 1 9.449 0.010 . 1 . . . . 98 ILE HN . 6786 1 793 . 1 1 98 98 ILE HA H 1 4.538 0.010 . 1 . . . . 98 ILE HA . 6786 1 794 . 1 1 98 98 ILE HB H 1 1.700 0.010 . 1 . . . . 98 ILE HB . 6786 1 795 . 1 1 98 98 ILE HG12 H 1 0.609 0.010 . 1 . . . . 98 ILE HG1 . 6786 1 796 . 1 1 98 98 ILE HG13 H 1 0.609 0.010 . 1 . . . . 98 ILE HG1 . 6786 1 797 . 1 1 98 98 ILE HG21 H 1 0.961 0.010 . 1 . . . . 98 ILE HG2 . 6786 1 798 . 1 1 98 98 ILE HG22 H 1 0.961 0.010 . 1 . . . . 98 ILE HG2 . 6786 1 799 . 1 1 98 98 ILE HG23 H 1 0.961 0.010 . 1 . . . . 98 ILE HG2 . 6786 1 800 . 1 1 98 98 ILE HD11 H 1 -0.460 0.010 . 1 . . . . 98 ILE HD1 . 6786 1 801 . 1 1 98 98 ILE HD12 H 1 -0.460 0.010 . 1 . . . . 98 ILE HD1 . 6786 1 802 . 1 1 98 98 ILE HD13 H 1 -0.460 0.010 . 1 . . . . 98 ILE HD1 . 6786 1 803 . 1 1 98 98 ILE C C 13 175.260 0.100 . 1 . . . . 98 ILE C . 6786 1 804 . 1 1 98 98 ILE CA C 13 60.398 0.100 . 1 . . . . 98 ILE CA . 6786 1 805 . 1 1 98 98 ILE CB C 13 41.747 0.100 . 1 . . . . 98 ILE CB . 6786 1 806 . 1 1 98 98 ILE CG1 C 13 29.460 0.100 . 1 . . . . 98 ILE CG1 . 6786 1 807 . 1 1 98 98 ILE CD1 C 13 15.331 0.100 . 1 . . . . 98 ILE CD1 . 6786 1 808 . 1 1 98 98 ILE N N 15 130.020 0.100 . 1 . . . . 98 ILE N . 6786 1 809 . 1 1 99 99 VAL H H 1 8.506 0.010 . 1 . . . . 99 VAL HN . 6786 1 810 . 1 1 99 99 VAL HA H 1 5.123 0.010 . 1 . . . . 99 VAL HA . 6786 1 811 . 1 1 99 99 VAL HB H 1 2.319 0.010 . 1 . . . . 99 VAL HB . 6786 1 812 . 1 1 99 99 VAL HG11 H 1 0.918 0.010 . 1 . . . . 99 VAL HG . 6786 1 813 . 1 1 99 99 VAL HG12 H 1 0.918 0.010 . 1 . . . . 99 VAL HG . 6786 1 814 . 1 1 99 99 VAL HG13 H 1 0.918 0.010 . 1 . . . . 99 VAL HG . 6786 1 815 . 1 1 99 99 VAL HG21 H 1 0.918 0.010 . 1 . . . . 99 VAL HG . 6786 1 816 . 1 1 99 99 VAL HG22 H 1 0.918 0.010 . 1 . . . . 99 VAL HG . 6786 1 817 . 1 1 99 99 VAL HG23 H 1 0.918 0.010 . 1 . . . . 99 VAL HG . 6786 1 818 . 1 1 99 99 VAL C C 13 176.675 0.100 . 1 . . . . 99 VAL C . 6786 1 819 . 1 1 99 99 VAL CA C 13 61.304 0.100 . 1 . . . . 99 VAL CA . 6786 1 820 . 1 1 99 99 VAL CB C 13 32.337 0.100 . 1 . . . . 99 VAL CB . 6786 1 821 . 1 1 99 99 VAL CG1 C 13 24.230 0.100 . 1 . . . . 99 VAL CG . 6786 1 822 . 1 1 99 99 VAL N N 15 127.515 0.100 . 1 . . . . 99 VAL N . 6786 1 823 . 1 1 100 100 TYR H H 1 9.359 0.010 . 1 . . . . 100 TYR HN . 6786 1 824 . 1 1 100 100 TYR HA H 1 5.528 0.010 . 1 . . . . 100 TYR HA . 6786 1 825 . 1 1 100 100 TYR HB2 H 1 2.685 0.010 . 1 . . . . 100 TYR HB . 6786 1 826 . 1 1 100 100 TYR HB3 H 1 2.685 0.010 . 1 . . . . 100 TYR HB . 6786 1 827 . 1 1 100 100 TYR C C 13 171.772 0.100 . 1 . . . . 100 TYR C . 6786 1 828 . 1 1 100 100 TYR CA C 13 55.238 0.100 . 1 . . . . 100 TYR CA . 6786 1 829 . 1 1 100 100 TYR CB C 13 42.210 0.100 . 1 . . . . 100 TYR CB . 6786 1 830 . 1 1 100 100 TYR N N 15 125.872 0.100 . 1 . . . . 100 TYR N . 6786 1 831 . 1 1 101 101 ASP H H 1 8.432 0.010 . 1 . . . . 101 ASP HN . 6786 1 832 . 1 1 101 101 ASP HA H 1 4.966 0.010 . 1 . . . . 101 ASP HA . 6786 1 833 . 1 1 101 101 ASP HB2 H 1 3.162 0.010 . 1 . . . . 101 ASP HB2 . 6786 1 834 . 1 1 101 101 ASP HB3 H 1 2.600 0.010 . 1 . . . . 101 ASP HB3 . 6786 1 835 . 1 1 101 101 ASP C C 13 175.990 0.100 . 1 . . . . 101 ASP C . 6786 1 836 . 1 1 101 101 ASP CA C 13 49.970 0.100 . 1 . . . . 101 ASP CA . 6786 1 837 . 1 1 101 101 ASP N N 15 120.219 0.100 . 1 . . . . 101 ASP N . 6786 1 838 . 1 1 102 102 PRO C C 13 178.464 0.100 . 1 . . . . 102 PRO C . 6786 1 839 . 1 1 102 102 PRO CA C 13 63.555 0.100 . 1 . . . . 102 PRO CA . 6786 1 840 . 1 1 102 102 PRO CB C 13 32.521 0.100 . 1 . . . . 102 PRO CB . 6786 1 841 . 1 1 102 102 PRO CG C 13 27.956 0.100 . 1 . . . . 102 PRO CG . 6786 1 842 . 1 1 103 103 SER H H 1 8.377 0.010 . 1 . . . . 103 SER HN . 6786 1 843 . 1 1 103 103 SER HA H 1 4.328 0.010 . 1 . . . . 103 SER HA . 6786 1 844 . 1 1 103 103 SER HB2 H 1 3.896 0.010 . 1 . . . . 103 SER HB . 6786 1 845 . 1 1 103 103 SER HB3 H 1 3.896 0.010 . 1 . . . . 103 SER HB . 6786 1 846 . 1 1 103 103 SER C C 13 174.603 0.100 . 1 . . . . 103 SER C . 6786 1 847 . 1 1 103 103 SER CA C 13 60.670 0.100 . 1 . . . . 103 SER CA . 6786 1 848 . 1 1 103 103 SER CB C 13 63.913 0.100 . 1 . . . . 103 SER CB . 6786 1 849 . 1 1 103 103 SER N N 15 115.516 0.100 . 1 . . . . 103 SER N . 6786 1 850 . 1 1 104 104 VAL H H 1 8.166 0.010 . 1 . . . . 104 VAL HN . 6786 1 851 . 1 1 104 104 VAL HA H 1 4.010 0.010 . 1 . . . . 104 VAL HA . 6786 1 852 . 1 1 104 104 VAL HB H 1 1.960 0.010 . 1 . . . . 104 VAL HB . 6786 1 853 . 1 1 104 104 VAL HG11 H 1 0.882 0.010 . 1 . . . . 104 VAL HG . 6786 1 854 . 1 1 104 104 VAL HG12 H 1 0.882 0.010 . 1 . . . . 104 VAL HG . 6786 1 855 . 1 1 104 104 VAL HG13 H 1 0.882 0.010 . 1 . . . . 104 VAL HG . 6786 1 856 . 1 1 104 104 VAL HG21 H 1 0.882 0.010 . 1 . . . . 104 VAL HG . 6786 1 857 . 1 1 104 104 VAL HG22 H 1 0.882 0.010 . 1 . . . . 104 VAL HG . 6786 1 858 . 1 1 104 104 VAL HG23 H 1 0.882 0.010 . 1 . . . . 104 VAL HG . 6786 1 859 . 1 1 104 104 VAL C C 13 175.372 0.100 . 1 . . . . 104 VAL C . 6786 1 860 . 1 1 104 104 VAL CA C 13 64.490 0.100 . 1 . . . . 104 VAL CA . 6786 1 861 . 1 1 104 104 VAL CB C 13 35.310 0.100 . 1 . . . . 104 VAL CB . 6786 1 862 . 1 1 104 104 VAL CG1 C 13 21.770 0.100 . 1 . . . . 104 VAL CG . 6786 1 863 . 1 1 104 104 VAL N N 15 123.315 0.100 . 1 . . . . 104 VAL N . 6786 1 864 . 1 1 105 105 ILE H H 1 8.677 0.010 . 1 . . . . 105 ILE HN . 6786 1 865 . 1 1 105 105 ILE HA H 1 4.625 0.010 . 1 . . . . 105 ILE HA . 6786 1 866 . 1 1 105 105 ILE HG21 H 1 0.852 0.010 . 1 . . . . 105 ILE HG2 . 6786 1 867 . 1 1 105 105 ILE HG22 H 1 0.852 0.010 . 1 . . . . 105 ILE HG2 . 6786 1 868 . 1 1 105 105 ILE HG23 H 1 0.852 0.010 . 1 . . . . 105 ILE HG2 . 6786 1 869 . 1 1 105 105 ILE HD11 H 1 0.770 0.010 . 1 . . . . 105 ILE HD1 . 6786 1 870 . 1 1 105 105 ILE HD12 H 1 0.770 0.010 . 1 . . . . 105 ILE HD1 . 6786 1 871 . 1 1 105 105 ILE HD13 H 1 0.770 0.010 . 1 . . . . 105 ILE HD1 . 6786 1 872 . 1 1 105 105 ILE C C 13 171.346 0.100 . 1 . . . . 105 ILE C . 6786 1 873 . 1 1 105 105 ILE CA C 13 59.578 0.100 . 1 . . . . 105 ILE CA . 6786 1 874 . 1 1 105 105 ILE CB C 13 41.960 0.100 . 1 . . . . 105 ILE CB . 6786 1 875 . 1 1 105 105 ILE CG1 C 13 30.876 0.100 . 1 . . . . 105 ILE CG1 . 6786 1 876 . 1 1 105 105 ILE CG2 C 13 16.420 0.100 . 1 . . . . 105 ILE CG2 . 6786 1 877 . 1 1 105 105 ILE CD1 C 13 15.800 0.100 . 1 . . . . 105 ILE CD1 . 6786 1 878 . 1 1 105 105 ILE N N 15 122.078 0.100 . 1 . . . . 105 ILE N . 6786 1 879 . 1 1 106 106 SER H H 1 8.296 0.010 . 1 . . . . 106 SER HN . 6786 1 880 . 1 1 106 106 SER HA H 1 4.850 0.010 . 1 . . . . 106 SER HA . 6786 1 881 . 1 1 106 106 SER HB2 H 1 4.425 0.010 . 1 . . . . 106 SER HB2 . 6786 1 882 . 1 1 106 106 SER HB3 H 1 3.997 0.010 . 1 . . . . 106 SER HB3 . 6786 1 883 . 1 1 106 106 SER C C 13 176.406 0.100 . 1 . . . . 106 SER C . 6786 1 884 . 1 1 106 106 SER CA C 13 56.404 0.100 . 1 . . . . 106 SER CA . 6786 1 885 . 1 1 106 106 SER CB C 13 67.169 0.100 . 1 . . . . 106 SER CB . 6786 1 886 . 1 1 106 106 SER N N 15 119.182 0.100 . 1 . . . . 106 SER N . 6786 1 887 . 1 1 107 107 TYR H H 1 9.384 0.010 . 1 . . . . 107 TYR HN . 6786 1 888 . 1 1 107 107 TYR HA H 1 4.482 0.010 . 1 . . . . 107 TYR HA . 6786 1 889 . 1 1 107 107 TYR HB2 H 1 3.499 0.010 . 1 . . . . 107 TYR HB2 . 6786 1 890 . 1 1 107 107 TYR HB3 H 1 2.778 0.010 . 1 . . . . 107 TYR HB3 . 6786 1 891 . 1 1 107 107 TYR C C 13 178.113 0.100 . 1 . . . . 107 TYR C . 6786 1 892 . 1 1 107 107 TYR CA C 13 62.686 0.100 . 1 . . . . 107 TYR CA . 6786 1 893 . 1 1 107 107 TYR CB C 13 38.310 0.100 . 1 . . . . 107 TYR CB . 6786 1 894 . 1 1 107 107 TYR N N 15 122.241 0.100 . 1 . . . . 107 TYR N . 6786 1 895 . 1 1 108 108 GLU H H 1 8.494 0.010 . 1 . . . . 108 GLU HN . 6786 1 896 . 1 1 108 108 GLU HA H 1 4.595 0.010 . 1 . . . . 108 GLU HA . 6786 1 897 . 1 1 108 108 GLU C C 13 180.140 0.100 . 1 . . . . 108 GLU C . 6786 1 898 . 1 1 108 108 GLU CA C 13 60.666 0.100 . 1 . . . . 108 GLU CA . 6786 1 899 . 1 1 108 108 GLU CB C 13 29.301 0.100 . 1 . . . . 108 GLU CB . 6786 1 900 . 1 1 108 108 GLU N N 15 116.100 0.100 . 1 . . . . 108 GLU N . 6786 1 901 . 1 1 109 109 GLN H H 1 7.901 0.010 . 1 . . . . 109 GLN HN . 6786 1 902 . 1 1 109 109 GLN HA H 1 4.011 0.010 . 1 . . . . 109 GLN HA . 6786 1 903 . 1 1 109 109 GLN HB2 H 1 2.056 0.010 . 1 . . . . 109 GLN HB2 . 6786 1 904 . 1 1 109 109 GLN HB3 H 1 1.852 0.010 . 1 . . . . 109 GLN HB3 . 6786 1 905 . 1 1 109 109 GLN HG2 H 1 2.371 0.010 . 1 . . . . 109 GLN HG . 6786 1 906 . 1 1 109 109 GLN HG3 H 1 2.371 0.010 . 1 . . . . 109 GLN HG . 6786 1 907 . 1 1 109 109 GLN C C 13 180.140 0.100 . 1 . . . . 109 GLN C . 6786 1 908 . 1 1 109 109 GLN CA C 13 59.551 0.100 . 1 . . . . 109 GLN CA . 6786 1 909 . 1 1 109 109 GLN CB C 13 29.595 0.100 . 1 . . . . 109 GLN CB . 6786 1 910 . 1 1 109 109 GLN CG C 13 36.076 0.100 . 1 . . . . 109 GLN CG . 6786 1 911 . 1 1 109 109 GLN N N 15 120.380 0.100 . 1 . . . . 109 GLN N . 6786 1 912 . 1 1 110 110 LEU H H 1 7.843 0.010 . 1 . . . . 110 LEU HN . 6786 1 913 . 1 1 110 110 LEU HA H 1 3.921 0.010 . 1 . . . . 110 LEU HA . 6786 1 914 . 1 1 110 110 LEU HB2 H 1 1.925 0.010 . 1 . . . . 110 LEU HB2 . 6786 1 915 . 1 1 110 110 LEU HB3 H 1 0.962 0.010 . 1 . . . . 110 LEU HB3 . 6786 1 916 . 1 1 110 110 LEU HG H 1 1.455 0.010 . 1 . . . . 110 LEU HG . 6786 1 917 . 1 1 110 110 LEU HD11 H 1 -0.128 0.010 . 1 . . . . 110 LEU HD1 . 6786 1 918 . 1 1 110 110 LEU HD12 H 1 -0.128 0.010 . 1 . . . . 110 LEU HD1 . 6786 1 919 . 1 1 110 110 LEU HD13 H 1 -0.128 0.010 . 1 . . . . 110 LEU HD1 . 6786 1 920 . 1 1 110 110 LEU HD21 H 1 0.710 0.010 . 1 . . . . 110 LEU HD2 . 6786 1 921 . 1 1 110 110 LEU HD22 H 1 0.710 0.010 . 1 . . . . 110 LEU HD2 . 6786 1 922 . 1 1 110 110 LEU HD23 H 1 0.710 0.010 . 1 . . . . 110 LEU HD2 . 6786 1 923 . 1 1 110 110 LEU C C 13 179.122 0.100 . 1 . . . . 110 LEU C . 6786 1 924 . 1 1 110 110 LEU CA C 13 58.836 0.100 . 1 . . . . 110 LEU CA . 6786 1 925 . 1 1 110 110 LEU CB C 13 41.316 0.100 . 1 . . . . 110 LEU CB . 6786 1 926 . 1 1 110 110 LEU CG C 13 27.178 0.100 . 1 . . . . 110 LEU CG . 6786 1 927 . 1 1 110 110 LEU CD1 C 13 25.800 0.100 . 1 . . . . 110 LEU CD1 . 6786 1 928 . 1 1 110 110 LEU CD2 C 13 24.394 0.100 . 1 . . . . 110 LEU CD2 . 6786 1 929 . 1 1 110 110 LEU N N 15 121.877 0.100 . 1 . . . . 110 LEU N . 6786 1 930 . 1 1 111 111 LEU H H 1 8.332 0.010 . 1 . . . . 111 LEU HN . 6786 1 931 . 1 1 111 111 LEU HA H 1 3.568 0.010 . 1 . . . . 111 LEU HA . 6786 1 932 . 1 1 111 111 LEU HD11 H 1 0.750 0.010 . 1 . . . . 111 LEU HD . 6786 1 933 . 1 1 111 111 LEU HD12 H 1 0.750 0.010 . 1 . . . . 111 LEU HD . 6786 1 934 . 1 1 111 111 LEU HD13 H 1 0.750 0.010 . 1 . . . . 111 LEU HD . 6786 1 935 . 1 1 111 111 LEU HD21 H 1 0.750 0.010 . 1 . . . . 111 LEU HD . 6786 1 936 . 1 1 111 111 LEU HD22 H 1 0.750 0.010 . 1 . . . . 111 LEU HD . 6786 1 937 . 1 1 111 111 LEU HD23 H 1 0.750 0.010 . 1 . . . . 111 LEU HD . 6786 1 938 . 1 1 111 111 LEU C C 13 178.472 0.100 . 1 . . . . 111 LEU C . 6786 1 939 . 1 1 111 111 LEU CA C 13 57.348 0.100 . 1 . . . . 111 LEU CA . 6786 1 940 . 1 1 111 111 LEU CB C 13 42.103 0.100 . 1 . . . . 111 LEU CB . 6786 1 941 . 1 1 111 111 LEU CG C 13 26.949 0.100 . 1 . . . . 111 LEU CG . 6786 1 942 . 1 1 111 111 LEU N N 15 118.420 0.100 . 1 . . . . 111 LEU N . 6786 1 943 . 1 1 112 112 GLN H H 1 7.480 0.010 . 1 . . . . 112 GLN HN . 6786 1 944 . 1 1 112 112 GLN HA H 1 4.026 0.010 . 1 . . . . 112 GLN HA . 6786 1 945 . 1 1 112 112 GLN HB2 H 1 2.076 0.010 . 1 . . . . 112 GLN HB . 6786 1 946 . 1 1 112 112 GLN HB3 H 1 2.076 0.010 . 1 . . . . 112 GLN HB . 6786 1 947 . 1 1 112 112 GLN HG2 H 1 2.447 0.010 . 1 . . . . 112 GLN HG2 . 6786 1 948 . 1 1 112 112 GLN HG3 H 1 2.330 0.010 . 1 . . . . 112 GLN HG3 . 6786 1 949 . 1 1 112 112 GLN C C 13 177.727 0.100 . 1 . . . . 112 GLN C . 6786 1 950 . 1 1 112 112 GLN CA C 13 59.848 0.100 . 1 . . . . 112 GLN CA . 6786 1 951 . 1 1 112 112 GLN CB C 13 28.259 0.100 . 1 . . . . 112 GLN CB . 6786 1 952 . 1 1 112 112 GLN CG C 13 33.789 0.100 . 1 . . . . 112 GLN CG . 6786 1 953 . 1 1 112 112 GLN N N 15 118.153 0.100 . 1 . . . . 112 GLN N . 6786 1 954 . 1 1 113 113 VAL H H 1 7.147 0.010 . 1 . . . . 113 VAL HN . 6786 1 955 . 1 1 113 113 VAL HA H 1 3.262 0.010 . 1 . . . . 113 VAL HA . 6786 1 956 . 1 1 113 113 VAL HB H 1 2.151 0.010 . 1 . . . . 113 VAL HB . 6786 1 957 . 1 1 113 113 VAL HG11 H 1 0.217 0.010 . 1 . . . . 113 VAL HG1 . 6786 1 958 . 1 1 113 113 VAL HG12 H 1 0.217 0.010 . 1 . . . . 113 VAL HG1 . 6786 1 959 . 1 1 113 113 VAL HG13 H 1 0.217 0.010 . 1 . . . . 113 VAL HG1 . 6786 1 960 . 1 1 113 113 VAL HG21 H 1 0.890 0.010 . 1 . . . . 113 VAL HG2 . 6786 1 961 . 1 1 113 113 VAL HG22 H 1 0.890 0.010 . 1 . . . . 113 VAL HG2 . 6786 1 962 . 1 1 113 113 VAL HG23 H 1 0.890 0.010 . 1 . . . . 113 VAL HG2 . 6786 1 963 . 1 1 113 113 VAL C C 13 179.192 0.100 . 1 . . . . 113 VAL C . 6786 1 964 . 1 1 113 113 VAL CA C 13 66.486 0.100 . 1 . . . . 113 VAL CA . 6786 1 965 . 1 1 113 113 VAL CB C 13 31.401 0.100 . 1 . . . . 113 VAL CB . 6786 1 966 . 1 1 113 113 VAL CG1 C 13 22.519 0.100 . 1 . . . . 113 VAL CG1 . 6786 1 967 . 1 1 113 113 VAL CG2 C 13 22.675 0.100 . 1 . . . . 113 VAL CG2 . 6786 1 968 . 1 1 113 113 VAL N N 15 118.285 0.100 . 1 . . . . 113 VAL N . 6786 1 969 . 1 1 114 114 PHE H H 1 7.800 0.010 . 1 . . . . 114 PHE HN . 6786 1 970 . 1 1 114 114 PHE HA H 1 3.982 0.010 . 1 . . . . 114 PHE HA . 6786 1 971 . 1 1 114 114 PHE HB2 H 1 1.658 0.010 . 1 . . . . 114 PHE HB . 6786 1 972 . 1 1 114 114 PHE HB3 H 1 1.658 0.010 . 1 . . . . 114 PHE HB . 6786 1 973 . 1 1 114 114 PHE C C 13 177.422 0.100 . 1 . . . . 114 PHE C . 6786 1 974 . 1 1 114 114 PHE CA C 13 60.926 0.100 . 1 . . . . 114 PHE CA . 6786 1 975 . 1 1 114 114 PHE CB C 13 38.457 0.100 . 1 . . . . 114 PHE CB . 6786 1 976 . 1 1 114 114 PHE N N 15 121.095 0.100 . 1 . . . . 114 PHE N . 6786 1 977 . 1 1 115 115 TRP H H 1 8.467 0.010 . 1 . . . . 115 TRP HN . 6786 1 978 . 1 1 115 115 TRP HA H 1 4.638 0.010 . 1 . . . . 115 TRP HA . 6786 1 979 . 1 1 115 115 TRP HB2 H 1 2.800 0.010 . 1 . . . . 115 TRP HB . 6786 1 980 . 1 1 115 115 TRP HB3 H 1 2.800 0.010 . 1 . . . . 115 TRP HB . 6786 1 981 . 1 1 115 115 TRP C C 13 177.629 0.100 . 1 . . . . 115 TRP C . 6786 1 982 . 1 1 115 115 TRP CA C 13 60.278 0.100 . 1 . . . . 115 TRP CA . 6786 1 983 . 1 1 115 115 TRP CB C 13 30.178 0.100 . 1 . . . . 115 TRP CB . 6786 1 984 . 1 1 115 115 TRP N N 15 119.039 0.100 . 1 . . . . 115 TRP N . 6786 1 985 . 1 1 116 116 GLU H H 1 7.561 0.010 . 1 . . . . 116 GLU HN . 6786 1 986 . 1 1 116 116 GLU HA H 1 4.342 0.010 . 1 . . . . 116 GLU HA . 6786 1 987 . 1 1 116 116 GLU C C 13 179.013 0.100 . 1 . . . . 116 GLU C . 6786 1 988 . 1 1 116 116 GLU CA C 13 57.692 0.100 . 1 . . . . 116 GLU CA . 6786 1 989 . 1 1 116 116 GLU CB C 13 30.806 0.100 . 1 . . . . 116 GLU CB . 6786 1 990 . 1 1 116 116 GLU CG C 13 38.121 0.100 . 1 . . . . 116 GLU CG . 6786 1 991 . 1 1 116 116 GLU N N 15 108.198 0.100 . 1 . . . . 116 GLU N . 6786 1 992 . 1 1 117 117 ASN H H 1 7.045 0.010 . 1 . . . . 117 ASN HN . 6786 1 993 . 1 1 117 117 ASN HA H 1 4.838 0.010 . 1 . . . . 117 ASN HA . 6786 1 994 . 1 1 117 117 ASN HB2 H 1 2.660 0.010 . 1 . . . . 117 ASN HB2 . 6786 1 995 . 1 1 117 117 ASN HB3 H 1 2.284 0.010 . 1 . . . . 117 ASN HB3 . 6786 1 996 . 1 1 117 117 ASN CA C 13 54.331 0.100 . 1 . . . . 117 ASN CA . 6786 1 997 . 1 1 117 117 ASN CB C 13 41.618 0.100 . 1 . . . . 117 ASN CB . 6786 1 998 . 1 1 117 117 ASN N N 15 113.187 0.100 . 1 . . . . 117 ASN N . 6786 1 999 . 1 1 118 118 HIS H H 1 7.532 0.010 . 1 . . . . 118 HIS HN . 6786 1 1000 . 1 1 118 118 HIS HA H 1 4.535 0.010 . 1 . . . . 118 HIS HA . 6786 1 1001 . 1 1 118 118 HIS CA C 13 55.669 0.100 . 1 . . . . 118 HIS CA . 6786 1 1002 . 1 1 118 118 HIS CB C 13 30.702 0.100 . 1 . . . . 118 HIS CB . 6786 1 1003 . 1 1 118 118 HIS N N 15 113.964 0.100 . 1 . . . . 118 HIS N . 6786 1 1004 . 1 1 119 119 ASP H H 1 8.953 0.010 . 1 . . . . 119 ASP HN . 6786 1 1005 . 1 1 119 119 ASP N N 15 119.718 0.100 . 1 . . . . 119 ASP N . 6786 1 1006 . 1 1 120 120 PRO C C 13 175.536 0.100 . 1 . . . . 120 PRO C . 6786 1 1007 . 1 1 120 120 PRO CA C 13 63.987 0.100 . 1 . . . . 120 PRO CA . 6786 1 1008 . 1 1 120 120 PRO CB C 13 32.786 0.100 . 1 . . . . 120 PRO CB . 6786 1 1009 . 1 1 120 120 PRO CG C 13 27.616 0.100 . 1 . . . . 120 PRO CG . 6786 1 1010 . 1 1 121 121 ALA H H 1 8.358 0.010 . 1 . . . . 121 ALA HN . 6786 1 1011 . 1 1 121 121 ALA HA H 1 4.990 0.010 . 1 . . . . 121 ALA HA . 6786 1 1012 . 1 1 121 121 ALA HB1 H 1 1.154 0.010 . 1 . . . . 121 ALA HB . 6786 1 1013 . 1 1 121 121 ALA HB2 H 1 1.154 0.010 . 1 . . . . 121 ALA HB . 6786 1 1014 . 1 1 121 121 ALA HB3 H 1 1.154 0.010 . 1 . . . . 121 ALA HB . 6786 1 1015 . 1 1 121 121 ALA C C 13 177.726 0.100 . 1 . . . . 121 ALA C . 6786 1 1016 . 1 1 121 121 ALA CA C 13 51.726 0.100 . 1 . . . . 121 ALA CA . 6786 1 1017 . 1 1 121 121 ALA CB C 13 20.975 0.100 . 1 . . . . 121 ALA CB . 6786 1 1018 . 1 1 121 121 ALA N N 15 124.394 0.100 . 1 . . . . 121 ALA N . 6786 1 1019 . 1 1 122 122 GLN C C 13 177.242 0.100 . 1 . . . . 122 GLN C . 6786 1 1020 . 1 1 122 122 GLN CA C 13 56.723 0.100 . 1 . . . . 122 GLN CA . 6786 1 1021 . 1 1 122 122 GLN CB C 13 30.357 0.100 . 1 . . . . 122 GLN CB . 6786 1 1022 . 1 1 122 122 GLN CG C 13 35.023 0.100 . 1 . . . . 122 GLN CG . 6786 1 1023 . 1 1 123 123 GLY H H 1 8.348 0.010 . 1 . . . . 123 GLY HN . 6786 1 1024 . 1 1 123 123 GLY C C 13 176.359 0.100 . 1 . . . . 123 GLY C . 6786 1 1025 . 1 1 123 123 GLY CA C 13 46.061 0.100 . 1 . . . . 123 GLY CA . 6786 1 1026 . 1 1 123 123 GLY N N 15 109.947 0.100 . 1 . . . . 123 GLY N . 6786 1 1027 . 1 1 124 124 MET HE1 H 1 2.021 0.010 . 1 . . . . 124 MET HE . 6786 1 1028 . 1 1 124 124 MET HE2 H 1 2.021 0.010 . 1 . . . . 124 MET HE . 6786 1 1029 . 1 1 124 124 MET HE3 H 1 2.021 0.010 . 1 . . . . 124 MET HE . 6786 1 1030 . 1 1 124 124 MET CE C 13 18.925 0.100 . 1 . . . . 124 MET CE . 6786 1 1031 . 1 1 125 125 ARG H H 1 8.086 0.010 . 1 . . . . 125 ARG HN . 6786 1 1032 . 1 1 125 125 ARG HA H 1 4.684 0.010 . 1 . . . . 125 ARG HA . 6786 1 1033 . 1 1 125 125 ARG C C 13 174.730 0.100 . 1 . . . . 125 ARG C . 6786 1 1034 . 1 1 125 125 ARG CA C 13 56.041 0.100 . 1 . . . . 125 ARG CA . 6786 1 1035 . 1 1 125 125 ARG CB C 13 32.218 0.100 . 1 . . . . 125 ARG CB . 6786 1 1036 . 1 1 125 125 ARG N N 15 120.179 0.100 . 1 . . . . 125 ARG N . 6786 1 1037 . 1 1 126 126 GLN H H 1 8.466 0.010 . 1 . . . . 126 GLN HN . 6786 1 1038 . 1 1 126 126 GLN HA H 1 4.410 0.010 . 1 . . . . 126 GLN HA . 6786 1 1039 . 1 1 126 126 GLN N N 15 121.034 0.100 . 1 . . . . 126 GLN N . 6786 1 1040 . 1 1 130 130 HIS C C 13 174.981 0.100 . 1 . . . . 130 HIS C . 6786 1 1041 . 1 1 130 130 HIS CA C 13 56.419 0.100 . 1 . . . . 130 HIS CA . 6786 1 1042 . 1 1 130 130 HIS CB C 13 32.584 0.100 . 1 . . . . 130 HIS CB . 6786 1 1043 . 1 1 131 131 GLY H H 1 8.257 0.010 . 1 . . . . 131 GLY HN . 6786 1 1044 . 1 1 131 131 GLY C C 13 175.408 0.100 . 1 . . . . 131 GLY C . 6786 1 1045 . 1 1 131 131 GLY CA C 13 45.759 0.100 . 1 . . . . 131 GLY CA . 6786 1 1046 . 1 1 131 131 GLY N N 15 110.902 0.100 . 1 . . . . 131 GLY N . 6786 1 1047 . 1 1 132 132 THR H H 1 8.562 0.010 . 1 . . . . 132 THR HN . 6786 1 1048 . 1 1 132 132 THR HA H 1 4.155 0.010 . 1 . . . . 132 THR HA . 6786 1 1049 . 1 1 132 132 THR C C 13 177.206 0.100 . 1 . . . . 132 THR C . 6786 1 1050 . 1 1 132 132 THR CA C 13 64.199 0.100 . 1 . . . . 132 THR CA . 6786 1 1051 . 1 1 132 132 THR CB C 13 70.015 0.100 . 1 . . . . 132 THR CB . 6786 1 1052 . 1 1 132 132 THR N N 15 112.264 0.100 . 1 . . . . 132 THR N . 6786 1 1053 . 1 1 133 133 GLN H H 1 10.017 0.010 . 1 . . . . 133 GLN HN . 6786 1 1054 . 1 1 133 133 GLN C C 13 174.880 0.100 . 1 . . . . 133 GLN C . 6786 1 1055 . 1 1 133 133 GLN CA C 13 56.760 0.100 . 1 . . . . 133 GLN CA . 6786 1 1056 . 1 1 133 133 GLN CB C 13 27.458 0.100 . 1 . . . . 133 GLN CB . 6786 1 1057 . 1 1 133 133 GLN CG C 13 31.352 0.100 . 1 . . . . 133 GLN CG . 6786 1 1058 . 1 1 133 133 GLN N N 15 123.979 0.100 . 1 . . . . 133 GLN N . 6786 1 1059 . 1 1 134 134 TYR H H 1 7.239 0.010 . 1 . . . . 134 TYR HN . 6786 1 1060 . 1 1 134 134 TYR HA H 1 5.091 0.010 . 1 . . . . 134 TYR HA . 6786 1 1061 . 1 1 134 134 TYR C C 13 175.118 0.100 . 1 . . . . 134 TYR C . 6786 1 1062 . 1 1 134 134 TYR CA C 13 56.170 0.100 . 1 . . . . 134 TYR CA . 6786 1 1063 . 1 1 134 134 TYR N N 15 119.560 0.100 . 1 . . . . 134 TYR N . 6786 1 1064 . 1 1 136 136 SER C C 13 177.021 0.100 . 1 . . . . 136 SER C . 6786 1 1065 . 1 1 136 136 SER CA C 13 56.905 0.100 . 1 . . . . 136 SER CA . 6786 1 1066 . 1 1 136 136 SER CB C 13 62.646 0.100 . 1 . . . . 136 SER CB . 6786 1 1067 . 1 1 137 137 ALA H H 1 10.234 0.010 . 1 . . . . 137 ALA HN . 6786 1 1068 . 1 1 137 137 ALA HA H 1 5.135 0.010 . 1 . . . . 137 ALA HA . 6786 1 1069 . 1 1 137 137 ALA HB1 H 1 1.090 0.010 . 1 . . . . 137 ALA HB . 6786 1 1070 . 1 1 137 137 ALA HB2 H 1 1.090 0.010 . 1 . . . . 137 ALA HB . 6786 1 1071 . 1 1 137 137 ALA HB3 H 1 1.090 0.010 . 1 . . . . 137 ALA HB . 6786 1 1072 . 1 1 137 137 ALA C C 13 174.313 0.100 . 1 . . . . 137 ALA C . 6786 1 1073 . 1 1 137 137 ALA CA C 13 53.183 0.100 . 1 . . . . 137 ALA CA . 6786 1 1074 . 1 1 137 137 ALA CB C 13 23.856 0.100 . 1 . . . . 137 ALA CB . 6786 1 1075 . 1 1 137 137 ALA N N 15 133.157 0.100 . 1 . . . . 137 ALA N . 6786 1 1076 . 1 1 138 138 ILE H H 1 8.289 0.010 . 1 . . . . 138 ILE HN . 6786 1 1077 . 1 1 138 138 ILE HA H 1 3.728 0.010 . 1 . . . . 138 ILE HA . 6786 1 1078 . 1 1 138 138 ILE C C 13 174.378 0.100 . 1 . . . . 138 ILE C . 6786 1 1079 . 1 1 138 138 ILE CA C 13 61.447 0.100 . 1 . . . . 138 ILE CA . 6786 1 1080 . 1 1 138 138 ILE CB C 13 41.674 0.100 . 1 . . . . 138 ILE CB . 6786 1 1081 . 1 1 138 138 ILE N N 15 118.942 0.100 . 1 . . . . 138 ILE N . 6786 1 1082 . 1 1 139 139 TYR H H 1 6.472 0.010 . 1 . . . . 139 TYR HN . 6786 1 1083 . 1 1 139 139 TYR HA H 1 5.882 0.010 . 1 . . . . 139 TYR HA . 6786 1 1084 . 1 1 139 139 TYR HB2 H 1 2.546 0.010 . 1 . . . . 139 TYR HB . 6786 1 1085 . 1 1 139 139 TYR HB3 H 1 2.546 0.010 . 1 . . . . 139 TYR HB . 6786 1 1086 . 1 1 139 139 TYR C C 13 174.539 0.100 . 1 . . . . 139 TYR C . 6786 1 1087 . 1 1 139 139 TYR CA C 13 54.000 0.100 . 1 . . . . 139 TYR CA . 6786 1 1088 . 1 1 139 139 TYR CB C 13 39.420 0.100 . 1 . . . . 139 TYR CB . 6786 1 1089 . 1 1 139 139 TYR N N 15 123.383 0.100 . 1 . . . . 139 TYR N . 6786 1 1090 . 1 1 140 140 PRO C C 13 177.726 0.100 . 1 . . . . 140 PRO C . 6786 1 1091 . 1 1 140 140 PRO CA C 13 63.454 0.100 . 1 . . . . 140 PRO CA . 6786 1 1092 . 1 1 140 140 PRO CB C 13 33.995 0.100 . 1 . . . . 140 PRO CB . 6786 1 1093 . 1 1 140 140 PRO CG C 13 29.030 0.100 . 1 . . . . 140 PRO CG . 6786 1 1094 . 1 1 141 141 LEU H H 1 8.696 0.010 . 1 . . . . 141 LEU HN . 6786 1 1095 . 1 1 141 141 LEU HA H 1 4.367 0.010 . 1 . . . . 141 LEU HA . 6786 1 1096 . 1 1 141 141 LEU HD11 H 1 0.780 0.010 . 1 . . . . 141 LEU HD1 . 6786 1 1097 . 1 1 141 141 LEU HD12 H 1 0.780 0.010 . 1 . . . . 141 LEU HD1 . 6786 1 1098 . 1 1 141 141 LEU HD13 H 1 0.780 0.010 . 1 . . . . 141 LEU HD1 . 6786 1 1099 . 1 1 141 141 LEU C C 13 177.339 0.100 . 1 . . . . 141 LEU C . 6786 1 1100 . 1 1 141 141 LEU CA C 13 55.844 0.100 . 1 . . . . 141 LEU CA . 6786 1 1101 . 1 1 141 141 LEU CB C 13 45.396 0.100 . 1 . . . . 141 LEU CB . 6786 1 1102 . 1 1 141 141 LEU CG C 13 29.084 0.100 . 1 . . . . 141 LEU CG . 6786 1 1103 . 1 1 141 141 LEU CD1 C 13 26.118 0.100 . 1 . . . . 141 LEU CD1 . 6786 1 1104 . 1 1 141 141 LEU N N 15 122.933 0.100 . 1 . . . . 141 LEU N . 6786 1 1105 . 1 1 142 142 THR H H 1 7.019 0.010 . 1 . . . . 142 THR HN . 6786 1 1106 . 1 1 142 142 THR HA H 1 4.880 0.010 . 1 . . . . 142 THR HA . 6786 1 1107 . 1 1 142 142 THR HB H 1 4.700 0.010 . 1 . . . . 142 THR HB . 6786 1 1108 . 1 1 142 142 THR HG21 H 1 1.075 0.010 . 1 . . . . 142 THR HG2 . 6786 1 1109 . 1 1 142 142 THR HG22 H 1 1.075 0.010 . 1 . . . . 142 THR HG2 . 6786 1 1110 . 1 1 142 142 THR HG23 H 1 1.075 0.010 . 1 . . . . 142 THR HG2 . 6786 1 1111 . 1 1 142 142 THR C C 13 173.851 0.100 . 1 . . . . 142 THR C . 6786 1 1112 . 1 1 142 142 THR CA C 13 57.896 0.100 . 1 . . . . 142 THR CA . 6786 1 1113 . 1 1 142 142 THR CB C 13 70.781 0.100 . 1 . . . . 142 THR CB . 6786 1 1114 . 1 1 142 142 THR N N 15 107.675 0.100 . 1 . . . . 142 THR N . 6786 1 1115 . 1 1 143 143 PRO C C 13 179.947 0.100 . 1 . . . . 143 PRO C . 6786 1 1116 . 1 1 143 143 PRO CA C 13 65.051 0.100 . 1 . . . . 143 PRO CA . 6786 1 1117 . 1 1 143 143 PRO CB C 13 32.438 0.100 . 1 . . . . 143 PRO CB . 6786 1 1118 . 1 1 143 143 PRO CG C 13 28.361 0.100 . 1 . . . . 143 PRO CG . 6786 1 1119 . 1 1 144 144 GLU H H 1 8.661 0.010 . 1 . . . . 144 GLU HN . 6786 1 1120 . 1 1 144 144 GLU HA H 1 4.027 0.010 . 1 . . . . 144 GLU HA . 6786 1 1121 . 1 1 144 144 GLU HB2 H 1 1.911 0.010 . 1 . . . . 144 GLU HB . 6786 1 1122 . 1 1 144 144 GLU HB3 H 1 1.911 0.010 . 1 . . . . 144 GLU HB . 6786 1 1123 . 1 1 144 144 GLU HG2 H 1 2.415 0.010 . 1 . . . . 144 GLU HG2 . 6786 1 1124 . 1 1 144 144 GLU HG3 H 1 2.104 0.010 . 1 . . . . 144 GLU HG3 . 6786 1 1125 . 1 1 144 144 GLU C C 13 181.395 0.100 . 1 . . . . 144 GLU C . 6786 1 1126 . 1 1 144 144 GLU CA C 13 61.251 0.100 . 1 . . . . 144 GLU CA . 6786 1 1127 . 1 1 144 144 GLU CB C 13 28.939 0.100 . 1 . . . . 144 GLU CB . 6786 1 1128 . 1 1 144 144 GLU CG C 13 37.909 0.100 . 1 . . . . 144 GLU CG . 6786 1 1129 . 1 1 144 144 GLU N N 15 118.823 0.100 . 1 . . . . 144 GLU N . 6786 1 1130 . 1 1 145 145 GLN H H 1 7.928 0.010 . 1 . . . . 145 GLN HN . 6786 1 1131 . 1 1 145 145 GLN HA H 1 3.983 0.010 . 1 . . . . 145 GLN HA . 6786 1 1132 . 1 1 145 145 GLN C C 13 178.369 0.100 . 1 . . . . 145 GLN C . 6786 1 1133 . 1 1 145 145 GLN CA C 13 59.252 0.100 . 1 . . . . 145 GLN CA . 6786 1 1134 . 1 1 145 145 GLN CB C 13 29.088 0.100 . 1 . . . . 145 GLN CB . 6786 1 1135 . 1 1 145 145 GLN CG C 13 33.046 0.100 . 1 . . . . 145 GLN CG . 6786 1 1136 . 1 1 145 145 GLN N N 15 120.532 0.100 . 1 . . . . 145 GLN N . 6786 1 1137 . 1 1 146 146 ASP H H 1 8.127 0.010 . 1 . . . . 146 ASP HN . 6786 1 1138 . 1 1 146 146 ASP HA H 1 4.045 0.010 . 1 . . . . 146 ASP HA . 6786 1 1139 . 1 1 146 146 ASP HB2 H 1 2.798 0.010 . 1 . . . . 146 ASP HB2 . 6786 1 1140 . 1 1 146 146 ASP HB3 H 1 2.449 0.010 . 1 . . . . 146 ASP HB3 . 6786 1 1141 . 1 1 146 146 ASP C C 13 177.801 0.100 . 1 . . . . 146 ASP C . 6786 1 1142 . 1 1 146 146 ASP CA C 13 58.820 0.100 . 1 . . . . 146 ASP CA . 6786 1 1143 . 1 1 146 146 ASP CB C 13 43.269 0.100 . 1 . . . . 146 ASP CB . 6786 1 1144 . 1 1 146 146 ASP N N 15 120.746 0.100 . 1 . . . . 146 ASP N . 6786 1 1145 . 1 1 147 147 ALA H H 1 8.118 0.010 . 1 . . . . 147 ALA HN . 6786 1 1146 . 1 1 147 147 ALA HA H 1 4.078 0.010 . 1 . . . . 147 ALA HA . 6786 1 1147 . 1 1 147 147 ALA HB1 H 1 1.508 0.010 . 1 . . . . 147 ALA HB . 6786 1 1148 . 1 1 147 147 ALA HB2 H 1 1.508 0.010 . 1 . . . . 147 ALA HB . 6786 1 1149 . 1 1 147 147 ALA HB3 H 1 1.508 0.010 . 1 . . . . 147 ALA HB . 6786 1 1150 . 1 1 147 147 ALA C C 13 181.907 0.100 . 1 . . . . 147 ALA C . 6786 1 1151 . 1 1 147 147 ALA CA C 13 55.865 0.100 . 1 . . . . 147 ALA CA . 6786 1 1152 . 1 1 147 147 ALA CB C 13 18.640 0.100 . 1 . . . . 147 ALA CB . 6786 1 1153 . 1 1 147 147 ALA N N 15 119.296 0.100 . 1 . . . . 147 ALA N . 6786 1 1154 . 1 1 148 148 ALA H H 1 7.720 0.010 . 1 . . . . 148 ALA HN . 6786 1 1155 . 1 1 148 148 ALA HA H 1 4.263 0.010 . 1 . . . . 148 ALA HA . 6786 1 1156 . 1 1 148 148 ALA HB1 H 1 1.697 0.010 . 1 . . . . 148 ALA HB . 6786 1 1157 . 1 1 148 148 ALA HB2 H 1 1.697 0.010 . 1 . . . . 148 ALA HB . 6786 1 1158 . 1 1 148 148 ALA HB3 H 1 1.697 0.010 . 1 . . . . 148 ALA HB . 6786 1 1159 . 1 1 148 148 ALA C C 13 181.911 0.100 . 1 . . . . 148 ALA C . 6786 1 1160 . 1 1 148 148 ALA CA C 13 55.260 0.100 . 1 . . . . 148 ALA CA . 6786 1 1161 . 1 1 148 148 ALA CB C 13 19.220 0.100 . 1 . . . . 148 ALA CB . 6786 1 1162 . 1 1 148 148 ALA N N 15 120.615 0.100 . 1 . . . . 148 ALA N . 6786 1 1163 . 1 1 149 149 ALA H H 1 9.505 0.010 . 1 . . . . 149 ALA HN . 6786 1 1164 . 1 1 149 149 ALA HA H 1 4.261 0.010 . 1 . . . . 149 ALA HA . 6786 1 1165 . 1 1 149 149 ALA HB1 H 1 1.711 0.010 . 1 . . . . 149 ALA HB . 6786 1 1166 . 1 1 149 149 ALA HB2 H 1 1.711 0.010 . 1 . . . . 149 ALA HB . 6786 1 1167 . 1 1 149 149 ALA HB3 H 1 1.711 0.010 . 1 . . . . 149 ALA HB . 6786 1 1168 . 1 1 149 149 ALA C C 13 181.750 0.100 . 1 . . . . 149 ALA C . 6786 1 1169 . 1 1 149 149 ALA CA C 13 55.904 0.100 . 1 . . . . 149 ALA CA . 6786 1 1170 . 1 1 149 149 ALA CB C 13 19.649 0.100 . 1 . . . . 149 ALA CB . 6786 1 1171 . 1 1 149 149 ALA N N 15 123.515 0.100 . 1 . . . . 149 ALA N . 6786 1 1172 . 1 1 150 150 ARG H H 1 8.589 0.010 . 1 . . . . 150 ARG HN . 6786 1 1173 . 1 1 150 150 ARG HA H 1 3.830 0.010 . 1 . . . . 150 ARG HA . 6786 1 1174 . 1 1 150 150 ARG C C 13 179.799 0.100 . 1 . . . . 150 ARG C . 6786 1 1175 . 1 1 150 150 ARG CA C 13 60.858 0.100 . 1 . . . . 150 ARG CA . 6786 1 1176 . 1 1 150 150 ARG CB C 13 30.039 0.100 . 1 . . . . 150 ARG CB . 6786 1 1177 . 1 1 150 150 ARG CD C 13 43.269 0.100 . 1 . . . . 150 ARG CD . 6786 1 1178 . 1 1 150 150 ARG N N 15 119.340 0.100 . 1 . . . . 150 ARG N . 6786 1 1179 . 1 1 151 151 ALA H H 1 7.994 0.010 . 1 . . . . 151 ALA HN . 6786 1 1180 . 1 1 151 151 ALA HA H 1 4.310 0.010 . 1 . . . . 151 ALA HA . 6786 1 1181 . 1 1 151 151 ALA HB1 H 1 1.536 0.010 . 1 . . . . 151 ALA HB . 6786 1 1182 . 1 1 151 151 ALA HB2 H 1 1.536 0.010 . 1 . . . . 151 ALA HB . 6786 1 1183 . 1 1 151 151 ALA HB3 H 1 1.536 0.010 . 1 . . . . 151 ALA HB . 6786 1 1184 . 1 1 151 151 ALA C C 13 181.218 0.100 . 1 . . . . 151 ALA C . 6786 1 1185 . 1 1 151 151 ALA CA C 13 55.689 0.100 . 1 . . . . 151 ALA CA . 6786 1 1186 . 1 1 151 151 ALA CB C 13 18.293 0.100 . 1 . . . . 151 ALA CB . 6786 1 1187 . 1 1 151 151 ALA N N 15 121.784 0.100 . 1 . . . . 151 ALA N . 6786 1 1188 . 1 1 152 152 SER H H 1 8.367 0.010 . 1 . . . . 152 SER HN . 6786 1 1189 . 1 1 152 152 SER HA H 1 4.127 0.010 . 1 . . . . 152 SER HA . 6786 1 1190 . 1 1 152 152 SER C C 13 175.811 0.100 . 1 . . . . 152 SER C . 6786 1 1191 . 1 1 152 152 SER CA C 13 62.259 0.100 . 1 . . . . 152 SER CA . 6786 1 1192 . 1 1 152 152 SER CB C 13 63.467 0.100 . 1 . . . . 152 SER CB . 6786 1 1193 . 1 1 152 152 SER N N 15 114.901 0.100 . 1 . . . . 152 SER N . 6786 1 1194 . 1 1 153 153 LEU H H 1 7.790 0.010 . 1 . . . . 153 LEU HN . 6786 1 1195 . 1 1 153 153 LEU HA H 1 4.035 0.010 . 1 . . . . 153 LEU HA . 6786 1 1196 . 1 1 153 153 LEU C C 13 178.841 0.100 . 1 . . . . 153 LEU C . 6786 1 1197 . 1 1 153 153 LEU CA C 13 60.067 0.100 . 1 . . . . 153 LEU CA . 6786 1 1198 . 1 1 153 153 LEU N N 15 126.903 0.100 . 1 . . . . 153 LEU N . 6786 1 1199 . 1 1 154 154 GLU H H 1 7.161 0.010 . 1 . . . . 154 GLU HN . 6786 1 1200 . 1 1 154 154 GLU HA H 1 3.906 0.010 . 1 . . . . 154 GLU HA . 6786 1 1201 . 1 1 154 154 GLU HB2 H 1 2.138 0.010 . 1 . . . . 154 GLU HB . 6786 1 1202 . 1 1 154 154 GLU HB3 H 1 2.138 0.010 . 1 . . . . 154 GLU HB . 6786 1 1203 . 1 1 154 154 GLU N N 15 117.853 0.100 . 1 . . . . 154 GLU N . 6786 1 1204 . 1 1 156 156 PHE C C 13 178.082 0.100 . 1 . . . . 156 PHE C . 6786 1 1205 . 1 1 156 156 PHE CA C 13 62.788 0.100 . 1 . . . . 156 PHE CA . 6786 1 1206 . 1 1 156 156 PHE CB C 13 38.222 0.100 . 1 . . . . 156 PHE CB . 6786 1 1207 . 1 1 157 157 GLN H H 1 8.583 0.010 . 1 . . . . 157 GLN HN . 6786 1 1208 . 1 1 157 157 GLN HA H 1 3.966 0.010 . 1 . . . . 157 GLN HA . 6786 1 1209 . 1 1 157 157 GLN C C 13 179.228 0.100 . 1 . . . . 157 GLN C . 6786 1 1210 . 1 1 157 157 GLN CA C 13 58.873 0.100 . 1 . . . . 157 GLN CA . 6786 1 1211 . 1 1 157 157 GLN CB C 13 29.714 0.100 . 1 . . . . 157 GLN CB . 6786 1 1212 . 1 1 157 157 GLN N N 15 118.334 0.100 . 1 . . . . 157 GLN N . 6786 1 1213 . 1 1 158 158 ALA H H 1 7.296 0.010 . 1 . . . . 158 ALA HN . 6786 1 1214 . 1 1 158 158 ALA HA H 1 4.050 0.010 . 1 . . . . 158 ALA HA . 6786 1 1215 . 1 1 158 158 ALA HB1 H 1 1.376 0.010 . 1 . . . . 158 ALA HB . 6786 1 1216 . 1 1 158 158 ALA HB2 H 1 1.376 0.010 . 1 . . . . 158 ALA HB . 6786 1 1217 . 1 1 158 158 ALA HB3 H 1 1.376 0.010 . 1 . . . . 158 ALA HB . 6786 1 1218 . 1 1 158 158 ALA C C 13 176.690 0.100 . 1 . . . . 158 ALA C . 6786 1 1219 . 1 1 158 158 ALA CA C 13 55.212 0.100 . 1 . . . . 158 ALA CA . 6786 1 1220 . 1 1 158 158 ALA CB C 13 18.465 0.100 . 1 . . . . 158 ALA CB . 6786 1 1221 . 1 1 158 158 ALA N N 15 120.234 0.100 . 1 . . . . 158 ALA N . 6786 1 1222 . 1 1 159 159 ALA H H 1 7.761 0.010 . 1 . . . . 159 ALA HN . 6786 1 1223 . 1 1 159 159 ALA HA H 1 4.048 0.010 . 1 . . . . 159 ALA HA . 6786 1 1224 . 1 1 159 159 ALA C C 13 178.097 0.100 . 1 . . . . 159 ALA C . 6786 1 1225 . 1 1 159 159 ALA CA C 13 53.744 0.100 . 1 . . . . 159 ALA CA . 6786 1 1226 . 1 1 159 159 ALA CB C 13 19.390 0.100 . 1 . . . . 159 ALA CB . 6786 1 1227 . 1 1 159 159 ALA N N 15 123.720 0.100 . 1 . . . . 159 ALA N . 6786 1 1228 . 1 1 160 160 MET C C 13 178.824 0.100 . 1 . . . . 160 MET C . 6786 1 1229 . 1 1 160 160 MET CA C 13 60.530 0.100 . 1 . . . . 160 MET CA . 6786 1 1230 . 1 1 161 161 LEU H H 1 7.574 0.010 . 1 . . . . 161 LEU HN . 6786 1 1231 . 1 1 161 161 LEU HA H 1 4.011 0.010 . 1 . . . . 161 LEU HA . 6786 1 1232 . 1 1 161 161 LEU C C 13 181.695 0.100 . 1 . . . . 161 LEU C . 6786 1 1233 . 1 1 161 161 LEU CA C 13 58.294 0.100 . 1 . . . . 161 LEU CA . 6786 1 1234 . 1 1 161 161 LEU CB C 13 41.943 0.100 . 1 . . . . 161 LEU CB . 6786 1 1235 . 1 1 161 161 LEU CG C 13 27.976 0.100 . 1 . . . . 161 LEU CG . 6786 1 1236 . 1 1 161 161 LEU CD1 C 13 25.619 0.100 . 1 . . . . 161 LEU CD1 . 6786 1 1237 . 1 1 161 161 LEU CD2 C 13 24.890 0.100 . 1 . . . . 161 LEU CD2 . 6786 1 1238 . 1 1 161 161 LEU N N 15 119.940 0.100 . 1 . . . . 161 LEU N . 6786 1 1239 . 1 1 162 162 ALA H H 1 7.891 0.010 . 1 . . . . 162 ALA HN . 6786 1 1240 . 1 1 162 162 ALA HA H 1 4.090 0.010 . 1 . . . . 162 ALA HA . 6786 1 1241 . 1 1 162 162 ALA HB1 H 1 1.388 0.010 . 1 . . . . 162 ALA HB . 6786 1 1242 . 1 1 162 162 ALA HB2 H 1 1.388 0.010 . 1 . . . . 162 ALA HB . 6786 1 1243 . 1 1 162 162 ALA HB3 H 1 1.388 0.010 . 1 . . . . 162 ALA HB . 6786 1 1244 . 1 1 162 162 ALA C C 13 178.313 0.100 . 1 . . . . 162 ALA C . 6786 1 1245 . 1 1 162 162 ALA CA C 13 54.413 0.100 . 1 . . . . 162 ALA CA . 6786 1 1246 . 1 1 162 162 ALA CB C 13 18.178 0.100 . 1 . . . . 162 ALA CB . 6786 1 1247 . 1 1 162 162 ALA N N 15 122.182 0.100 . 1 . . . . 162 ALA N . 6786 1 1248 . 1 1 163 163 ALA H H 1 7.360 0.010 . 1 . . . . 163 ALA HN . 6786 1 1249 . 1 1 163 163 ALA HA H 1 4.353 0.010 . 1 . . . . 163 ALA HA . 6786 1 1250 . 1 1 163 163 ALA HB1 H 1 1.362 0.010 . 1 . . . . 163 ALA HB . 6786 1 1251 . 1 1 163 163 ALA HB2 H 1 1.362 0.010 . 1 . . . . 163 ALA HB . 6786 1 1252 . 1 1 163 163 ALA HB3 H 1 1.362 0.010 . 1 . . . . 163 ALA HB . 6786 1 1253 . 1 1 163 163 ALA C C 13 176.858 0.100 . 1 . . . . 163 ALA C . 6786 1 1254 . 1 1 163 163 ALA CA C 13 51.763 0.100 . 1 . . . . 163 ALA CA . 6786 1 1255 . 1 1 163 163 ALA CB C 13 19.046 0.100 . 1 . . . . 163 ALA CB . 6786 1 1256 . 1 1 163 163 ALA N N 15 121.142 0.100 . 1 . . . . 163 ALA N . 6786 1 1257 . 1 1 164 164 ASP H H 1 7.866 0.010 . 1 . . . . 164 ASP HN . 6786 1 1258 . 1 1 164 164 ASP HA H 1 4.176 0.010 . 1 . . . . 164 ASP HA . 6786 1 1259 . 1 1 164 164 ASP HB2 H 1 2.618 0.010 . 1 . . . . 164 ASP HB2 . 6786 1 1260 . 1 1 164 164 ASP HB3 H 1 2.639 0.010 . 1 . . . . 164 ASP HB3 . 6786 1 1261 . 1 1 164 164 ASP C C 13 174.554 0.100 . 1 . . . . 164 ASP C . 6786 1 1262 . 1 1 164 164 ASP CA C 13 55.984 0.100 . 1 . . . . 164 ASP CA . 6786 1 1263 . 1 1 164 164 ASP CB C 13 39.598 0.100 . 1 . . . . 164 ASP CB . 6786 1 1264 . 1 1 164 164 ASP N N 15 115.333 0.100 . 1 . . . . 164 ASP N . 6786 1 1265 . 1 1 165 165 ASP H H 1 8.017 0.010 . 1 . . . . 165 ASP HN . 6786 1 1266 . 1 1 165 165 ASP HA H 1 4.603 0.010 . 1 . . . . 165 ASP HA . 6786 1 1267 . 1 1 165 165 ASP HB2 H 1 2.233 0.010 . 1 . . . . 165 ASP HB . 6786 1 1268 . 1 1 165 165 ASP HB3 H 1 2.233 0.010 . 1 . . . . 165 ASP HB . 6786 1 1269 . 1 1 165 165 ASP C C 13 175.749 0.100 . 1 . . . . 165 ASP C . 6786 1 1270 . 1 1 165 165 ASP CA C 13 53.276 0.100 . 1 . . . . 165 ASP CA . 6786 1 1271 . 1 1 165 165 ASP CB C 13 41.795 0.100 . 1 . . . . 165 ASP CB . 6786 1 1272 . 1 1 165 165 ASP N N 15 119.534 0.100 . 1 . . . . 165 ASP N . 6786 1 1273 . 1 1 166 166 ASP H H 1 7.990 0.010 . 1 . . . . 166 ASP HN . 6786 1 1274 . 1 1 166 166 ASP HA H 1 4.370 0.010 . 1 . . . . 166 ASP HA . 6786 1 1275 . 1 1 166 166 ASP HB2 H 1 2.573 0.010 . 1 . . . . 166 ASP HB . 6786 1 1276 . 1 1 166 166 ASP HB3 H 1 2.573 0.010 . 1 . . . . 166 ASP HB . 6786 1 1277 . 1 1 166 166 ASP C C 13 177.443 0.100 . 1 . . . . 166 ASP C . 6786 1 1278 . 1 1 166 166 ASP CA C 13 53.902 0.100 . 1 . . . . 166 ASP CA . 6786 1 1279 . 1 1 166 166 ASP CB C 13 40.881 0.100 . 1 . . . . 166 ASP CB . 6786 1 1280 . 1 1 166 166 ASP N N 15 122.318 0.100 . 1 . . . . 166 ASP N . 6786 1 1281 . 1 1 167 167 ARG H H 1 7.602 0.010 . 1 . . . . 167 ARG HN . 6786 1 1282 . 1 1 167 167 ARG HA H 1 4.105 0.010 . 1 . . . . 167 ARG HA . 6786 1 1283 . 1 1 167 167 ARG C C 13 176.482 0.100 . 1 . . . . 167 ARG C . 6786 1 1284 . 1 1 167 167 ARG CA C 13 57.096 0.100 . 1 . . . . 167 ARG CA . 6786 1 1285 . 1 1 167 167 ARG CB C 13 32.466 0.100 . 1 . . . . 167 ARG CB . 6786 1 1286 . 1 1 167 167 ARG CG C 13 27.808 0.100 . 1 . . . . 167 ARG CG . 6786 1 1287 . 1 1 167 167 ARG CD C 13 44.277 0.100 . 1 . . . . 167 ARG CD . 6786 1 1288 . 1 1 167 167 ARG N N 15 119.946 0.100 . 1 . . . . 167 ARG N . 6786 1 1289 . 1 1 168 168 HIS H H 1 8.376 0.010 . 1 . . . . 168 HIS HN . 6786 1 1290 . 1 1 168 168 HIS HA H 1 4.661 0.010 . 1 . . . . 168 HIS HA . 6786 1 1291 . 1 1 168 168 HIS HB2 H 1 3.042 0.010 . 1 . . . . 168 HIS HB . 6786 1 1292 . 1 1 168 168 HIS HB3 H 1 3.042 0.010 . 1 . . . . 168 HIS HB . 6786 1 1293 . 1 1 168 168 HIS C C 13 175.560 0.100 . 1 . . . . 168 HIS C . 6786 1 1294 . 1 1 168 168 HIS CA C 13 55.200 0.100 . 1 . . . . 168 HIS CA . 6786 1 1295 . 1 1 168 168 HIS CB C 13 30.300 0.100 . 1 . . . . 168 HIS CB . 6786 1 1296 . 1 1 168 168 HIS N N 15 118.881 0.100 . 1 . . . . 168 HIS N . 6786 1 1297 . 1 1 169 169 ILE H H 1 8.737 0.010 . 1 . . . . 169 ILE HN . 6786 1 1298 . 1 1 169 169 ILE HA H 1 3.773 0.010 . 1 . . . . 169 ILE HA . 6786 1 1299 . 1 1 169 169 ILE HB H 1 1.753 0.010 . 1 . . . . 169 ILE HB . 6786 1 1300 . 1 1 169 169 ILE HD11 H 1 0.930 0.010 . 1 . . . . 169 ILE HD1 . 6786 1 1301 . 1 1 169 169 ILE HD12 H 1 0.930 0.010 . 1 . . . . 169 ILE HD1 . 6786 1 1302 . 1 1 169 169 ILE HD13 H 1 0.930 0.010 . 1 . . . . 169 ILE HD1 . 6786 1 1303 . 1 1 169 169 ILE C C 13 175.633 0.100 . 1 . . . . 169 ILE C . 6786 1 1304 . 1 1 169 169 ILE CA C 13 63.740 0.100 . 1 . . . . 169 ILE CA . 6786 1 1305 . 1 1 169 169 ILE CD1 C 13 15.644 0.100 . 1 . . . . 169 ILE CD1 . 6786 1 1306 . 1 1 169 169 ILE N N 15 125.845 0.100 . 1 . . . . 169 ILE N . 6786 1 1307 . 1 1 171 171 THR H H 1 7.745 0.010 . 1 . . . . 171 THR HN . 6786 1 1308 . 1 1 171 171 THR CA C 13 65.073 0.100 . 1 . . . . 171 THR CA . 6786 1 1309 . 1 1 171 171 THR N N 15 122.823 0.100 . 1 . . . . 171 THR N . 6786 1 1310 . 1 1 172 172 GLU H H 1 8.229 0.010 . 1 . . . . 172 GLU HN . 6786 1 1311 . 1 1 172 172 GLU HA H 1 4.272 0.010 . 1 . . . . 172 GLU HA . 6786 1 1312 . 1 1 172 172 GLU HG2 H 1 1.832 0.010 . 1 . . . . 172 GLU HG . 6786 1 1313 . 1 1 172 172 GLU HG3 H 1 1.832 0.010 . 1 . . . . 172 GLU HG . 6786 1 1314 . 1 1 172 172 GLU C C 13 174.783 0.100 . 1 . . . . 172 GLU C . 6786 1 1315 . 1 1 172 172 GLU CA C 13 55.152 0.100 . 1 . . . . 172 GLU CA . 6786 1 1316 . 1 1 172 172 GLU CB C 13 32.034 0.100 . 1 . . . . 172 GLU CB . 6786 1 1317 . 1 1 172 172 GLU CG C 13 36.770 0.100 . 1 . . . . 172 GLU CG . 6786 1 1318 . 1 1 172 172 GLU N N 15 129.515 0.100 . 1 . . . . 172 GLU N . 6786 1 1319 . 1 1 173 173 ILE H H 1 8.164 0.010 . 1 . . . . 173 ILE HN . 6786 1 1320 . 1 1 173 173 ILE HA H 1 4.881 0.010 . 1 . . . . 173 ILE HA . 6786 1 1321 . 1 1 173 173 ILE HB H 1 1.631 0.010 . 1 . . . . 173 ILE HB . 6786 1 1322 . 1 1 173 173 ILE HG21 H 1 0.619 0.010 . 1 . . . . 173 ILE HG2 . 6786 1 1323 . 1 1 173 173 ILE HG22 H 1 0.619 0.010 . 1 . . . . 173 ILE HG2 . 6786 1 1324 . 1 1 173 173 ILE HG23 H 1 0.619 0.010 . 1 . . . . 173 ILE HG2 . 6786 1 1325 . 1 1 173 173 ILE HD11 H 1 0.817 0.010 . 1 . . . . 173 ILE HD1 . 6786 1 1326 . 1 1 173 173 ILE HD12 H 1 0.817 0.010 . 1 . . . . 173 ILE HD1 . 6786 1 1327 . 1 1 173 173 ILE HD13 H 1 0.817 0.010 . 1 . . . . 173 ILE HD1 . 6786 1 1328 . 1 1 173 173 ILE C C 13 175.660 0.100 . 1 . . . . 173 ILE C . 6786 1 1329 . 1 1 173 173 ILE CA C 13 61.270 0.100 . 1 . . . . 173 ILE CA . 6786 1 1330 . 1 1 173 173 ILE CB C 13 38.326 0.100 . 1 . . . . 173 ILE CB . 6786 1 1331 . 1 1 173 173 ILE CG1 C 13 28.661 0.100 . 1 . . . . 173 ILE CG1 . 6786 1 1332 . 1 1 173 173 ILE CG2 C 13 17.988 0.100 . 1 . . . . 173 ILE CG2 . 6786 1 1333 . 1 1 173 173 ILE CD1 C 13 15.175 0.100 . 1 . . . . 173 ILE CD1 . 6786 1 1334 . 1 1 173 173 ILE N N 15 124.262 0.100 . 1 . . . . 173 ILE N . 6786 1 1335 . 1 1 174 174 ALA H H 1 7.961 0.010 . 1 . . . . 174 ALA HN . 6786 1 1336 . 1 1 174 174 ALA HA H 1 4.623 0.010 . 1 . . . . 174 ALA HA . 6786 1 1337 . 1 1 174 174 ALA HB1 H 1 1.277 0.010 . 1 . . . . 174 ALA HB . 6786 1 1338 . 1 1 174 174 ALA HB2 H 1 1.277 0.010 . 1 . . . . 174 ALA HB . 6786 1 1339 . 1 1 174 174 ALA HB3 H 1 1.277 0.010 . 1 . . . . 174 ALA HB . 6786 1 1340 . 1 1 174 174 ALA C C 13 175.762 0.100 . 1 . . . . 174 ALA C . 6786 1 1341 . 1 1 174 174 ALA CA C 13 50.875 0.100 . 1 . . . . 174 ALA CA . 6786 1 1342 . 1 1 174 174 ALA CB C 13 22.832 0.100 . 1 . . . . 174 ALA CB . 6786 1 1343 . 1 1 174 174 ALA N N 15 129.932 0.100 . 1 . . . . 174 ALA N . 6786 1 1344 . 1 1 175 175 ASN H H 1 8.217 0.010 . 1 . . . . 175 ASN HN . 6786 1 1345 . 1 1 175 175 ASN HA H 1 4.377 0.010 . 1 . . . . 175 ASN HA . 6786 1 1346 . 1 1 175 175 ASN HB2 H 1 2.777 0.010 . 1 . . . . 175 ASN HB2 . 6786 1 1347 . 1 1 175 175 ASN HB3 H 1 2.602 0.010 . 1 . . . . 175 ASN HB3 . 6786 1 1348 . 1 1 175 175 ASN C C 13 177.012 0.100 . 1 . . . . 175 ASN C . 6786 1 1349 . 1 1 175 175 ASN CA C 13 54.296 0.100 . 1 . . . . 175 ASN CA . 6786 1 1350 . 1 1 175 175 ASN CB C 13 38.742 0.100 . 1 . . . . 175 ASN CB . 6786 1 1351 . 1 1 175 175 ASN N N 15 117.714 0.100 . 1 . . . . 175 ASN N . 6786 1 1352 . 1 1 176 176 ALA H H 1 7.730 0.010 . 1 . . . . 176 ALA HN . 6786 1 1353 . 1 1 176 176 ALA HA H 1 3.976 0.010 . 1 . . . . 176 ALA HA . 6786 1 1354 . 1 1 176 176 ALA HB1 H 1 1.234 0.010 . 1 . . . . 176 ALA HB . 6786 1 1355 . 1 1 176 176 ALA HB2 H 1 1.234 0.010 . 1 . . . . 176 ALA HB . 6786 1 1356 . 1 1 176 176 ALA HB3 H 1 1.234 0.010 . 1 . . . . 176 ALA HB . 6786 1 1357 . 1 1 176 176 ALA C C 13 178.170 0.100 . 1 . . . . 176 ALA C . 6786 1 1358 . 1 1 176 176 ALA CA C 13 53.859 0.100 . 1 . . . . 176 ALA CA . 6786 1 1359 . 1 1 176 176 ALA CB C 13 19.286 0.100 . 1 . . . . 176 ALA CB . 6786 1 1360 . 1 1 176 176 ALA N N 15 123.808 0.100 . 1 . . . . 176 ALA N . 6786 1 1361 . 1 1 177 177 THR H H 1 8.673 0.010 . 1 . . . . 177 THR HN . 6786 1 1362 . 1 1 177 177 THR HA H 1 4.474 0.010 . 1 . . . . 177 THR HA . 6786 1 1363 . 1 1 177 177 THR HB H 1 4.613 0.010 . 1 . . . . 177 THR HB . 6786 1 1364 . 1 1 177 177 THR HG21 H 1 1.184 0.010 . 1 . . . . 177 THR HG2 . 6786 1 1365 . 1 1 177 177 THR HG22 H 1 1.184 0.010 . 1 . . . . 177 THR HG2 . 6786 1 1366 . 1 1 177 177 THR HG23 H 1 1.184 0.010 . 1 . . . . 177 THR HG2 . 6786 1 1367 . 1 1 177 177 THR C C 13 172.000 0.100 . 1 . . . . 177 THR C . 6786 1 1368 . 1 1 177 177 THR CA C 13 60.290 0.100 . 1 . . . . 177 THR CA . 6786 1 1369 . 1 1 177 177 THR CB C 13 68.240 0.100 . 1 . . . . 177 THR CB . 6786 1 1370 . 1 1 177 177 THR N N 15 117.599 0.100 . 1 . . . . 177 THR N . 6786 1 1371 . 1 1 178 178 PRO C C 13 176.511 0.100 . 1 . . . . 178 PRO C . 6786 1 1372 . 1 1 178 178 PRO CA C 13 65.731 0.100 . 1 . . . . 178 PRO CA . 6786 1 1373 . 1 1 178 178 PRO CB C 13 31.875 0.100 . 1 . . . . 178 PRO CB . 6786 1 1374 . 1 1 179 179 PHE H H 1 8.562 0.010 . 1 . . . . 179 PHE HN . 6786 1 1375 . 1 1 179 179 PHE HA H 1 4.047 0.010 . 1 . . . . 179 PHE HA . 6786 1 1376 . 1 1 179 179 PHE HB2 H 1 1.756 0.010 . 1 . . . . 179 PHE HB . 6786 1 1377 . 1 1 179 179 PHE HB3 H 1 1.756 0.010 . 1 . . . . 179 PHE HB . 6786 1 1378 . 1 1 179 179 PHE C C 13 173.766 0.100 . 1 . . . . 179 PHE C . 6786 1 1379 . 1 1 179 179 PHE CA C 13 57.632 0.100 . 1 . . . . 179 PHE CA . 6786 1 1380 . 1 1 179 179 PHE CB C 13 40.165 0.100 . 1 . . . . 179 PHE CB . 6786 1 1381 . 1 1 179 179 PHE N N 15 126.592 0.100 . 1 . . . . 179 PHE N . 6786 1 1382 . 1 1 180 180 TYR H H 1 7.905 0.010 . 1 . . . . 180 TYR HN . 6786 1 1383 . 1 1 180 180 TYR HA H 1 4.739 0.010 . 1 . . . . 180 TYR HA . 6786 1 1384 . 1 1 180 180 TYR HB2 H 1 2.471 0.010 . 1 . . . . 180 TYR HB . 6786 1 1385 . 1 1 180 180 TYR HB3 H 1 2.471 0.010 . 1 . . . . 180 TYR HB . 6786 1 1386 . 1 1 180 180 TYR C C 13 174.507 0.100 . 1 . . . . 180 TYR C . 6786 1 1387 . 1 1 180 180 TYR CA C 13 55.600 0.100 . 1 . . . . 180 TYR CA . 6786 1 1388 . 1 1 180 180 TYR CB C 13 39.548 0.100 . 1 . . . . 180 TYR CB . 6786 1 1389 . 1 1 180 180 TYR N N 15 128.481 0.100 . 1 . . . . 180 TYR N . 6786 1 1390 . 1 1 181 181 TYR H H 1 9.366 0.010 . 1 . . . . 181 TYR HN . 6786 1 1391 . 1 1 181 181 TYR C C 13 175.826 0.100 . 1 . . . . 181 TYR C . 6786 1 1392 . 1 1 181 181 TYR CA C 13 60.496 0.100 . 1 . . . . 181 TYR CA . 6786 1 1393 . 1 1 181 181 TYR CB C 13 39.027 0.100 . 1 . . . . 181 TYR CB . 6786 1 1394 . 1 1 181 181 TYR N N 15 124.262 0.100 . 1 . . . . 181 TYR N . 6786 1 1395 . 1 1 182 182 ALA H H 1 7.825 0.010 . 1 . . . . 182 ALA HN . 6786 1 1396 . 1 1 182 182 ALA HA H 1 3.873 0.010 . 1 . . . . 182 ALA HA . 6786 1 1397 . 1 1 182 182 ALA HB1 H 1 0.955 0.010 . 1 . . . . 182 ALA HB . 6786 1 1398 . 1 1 182 182 ALA HB2 H 1 0.955 0.010 . 1 . . . . 182 ALA HB . 6786 1 1399 . 1 1 182 182 ALA HB3 H 1 0.955 0.010 . 1 . . . . 182 ALA HB . 6786 1 1400 . 1 1 182 182 ALA C C 13 176.391 0.100 . 1 . . . . 182 ALA C . 6786 1 1401 . 1 1 182 182 ALA CA C 13 51.251 0.100 . 1 . . . . 182 ALA CA . 6786 1 1402 . 1 1 182 182 ALA CB C 13 20.434 0.100 . 1 . . . . 182 ALA CB . 6786 1 1403 . 1 1 182 182 ALA N N 15 121.761 0.100 . 1 . . . . 182 ALA N . 6786 1 1404 . 1 1 183 183 GLU H H 1 11.396 0.010 . 1 . . . . 183 GLU HN . 6786 1 1405 . 1 1 183 183 GLU C C 13 178.274 0.100 . 1 . . . . 183 GLU C . 6786 1 1406 . 1 1 183 183 GLU CA C 13 58.359 0.100 . 1 . . . . 183 GLU CA . 6786 1 1407 . 1 1 183 183 GLU CB C 13 31.515 0.100 . 1 . . . . 183 GLU CB . 6786 1 1408 . 1 1 183 183 GLU CG C 13 38.093 0.100 . 1 . . . . 183 GLU CG . 6786 1 1409 . 1 1 183 183 GLU N N 15 120.659 0.100 . 1 . . . . 183 GLU N . 6786 1 1410 . 1 1 184 184 ASP H H 1 8.756 0.010 . 1 . . . . 184 ASP HN . 6786 1 1411 . 1 1 184 184 ASP HA H 1 4.351 0.010 . 1 . . . . 184 ASP HA . 6786 1 1412 . 1 1 184 184 ASP HB2 H 1 2.526 0.010 . 1 . . . . 184 ASP HB . 6786 1 1413 . 1 1 184 184 ASP HB3 H 1 2.526 0.010 . 1 . . . . 184 ASP HB . 6786 1 1414 . 1 1 184 184 ASP C C 13 178.530 0.100 . 1 . . . . 184 ASP C . 6786 1 1415 . 1 1 184 184 ASP CA C 13 59.193 0.100 . 1 . . . . 184 ASP CA . 6786 1 1416 . 1 1 184 184 ASP CB C 13 43.272 0.100 . 1 . . . . 184 ASP CB . 6786 1 1417 . 1 1 184 184 ASP N N 15 122.241 0.100 . 1 . . . . 184 ASP N . 6786 1 1418 . 1 1 185 185 ASP H H 1 8.275 0.010 . 1 . . . . 185 ASP HN . 6786 1 1419 . 1 1 185 185 ASP HA H 1 4.151 0.010 . 1 . . . . 185 ASP HA . 6786 1 1420 . 1 1 185 185 ASP HB2 H 1 2.404 0.010 . 1 . . . . 185 ASP HB2 . 6786 1 1421 . 1 1 185 185 ASP HB3 H 1 2.051 0.010 . 1 . . . . 185 ASP HB3 . 6786 1 1422 . 1 1 185 185 ASP C C 13 177.447 0.100 . 1 . . . . 185 ASP C . 6786 1 1423 . 1 1 185 185 ASP CA C 13 56.679 0.100 . 1 . . . . 185 ASP CA . 6786 1 1424 . 1 1 185 185 ASP CB C 13 40.924 0.100 . 1 . . . . 185 ASP CB . 6786 1 1425 . 1 1 185 185 ASP N N 15 112.616 0.100 . 1 . . . . 185 ASP N . 6786 1 1426 . 1 1 186 186 HIS H H 1 7.767 0.010 . 1 . . . . 186 HIS HN . 6786 1 1427 . 1 1 186 186 HIS HA H 1 4.561 0.010 . 1 . . . . 186 HIS HA . 6786 1 1428 . 1 1 186 186 HIS HB2 H 1 3.013 0.010 . 1 . . . . 186 HIS HB . 6786 1 1429 . 1 1 186 186 HIS HB3 H 1 3.013 0.010 . 1 . . . . 186 HIS HB . 6786 1 1430 . 1 1 186 186 HIS C C 13 176.881 0.100 . 1 . . . . 186 HIS C . 6786 1 1431 . 1 1 186 186 HIS CA C 13 58.650 0.100 . 1 . . . . 186 HIS CA . 6786 1 1432 . 1 1 186 186 HIS CB C 13 34.066 0.100 . 1 . . . . 186 HIS CB . 6786 1 1433 . 1 1 186 186 HIS N N 15 113.008 0.100 . 1 . . . . 186 HIS N . 6786 1 1434 . 1 1 187 187 GLN H H 1 7.498 0.010 . 1 . . . . 187 GLN HN . 6786 1 1435 . 1 1 187 187 GLN HA H 1 4.302 0.010 . 1 . . . . 187 GLN HA . 6786 1 1436 . 1 1 187 187 GLN HB2 H 1 2.746 0.010 . 1 . . . . 187 GLN HB . 6786 1 1437 . 1 1 187 187 GLN HB3 H 1 2.746 0.010 . 1 . . . . 187 GLN HB . 6786 1 1438 . 1 1 187 187 GLN HG2 H 1 2.025 0.010 . 1 . . . . 187 GLN HG . 6786 1 1439 . 1 1 187 187 GLN HG3 H 1 2.025 0.010 . 1 . . . . 187 GLN HG . 6786 1 1440 . 1 1 187 187 GLN C C 13 177.017 0.100 . 1 . . . . 187 GLN C . 6786 1 1441 . 1 1 187 187 GLN CA C 13 55.657 0.100 . 1 . . . . 187 GLN CA . 6786 1 1442 . 1 1 187 187 GLN N N 15 120.131 0.100 . 1 . . . . 187 GLN N . 6786 1 1443 . 1 1 188 188 GLN H H 1 10.531 0.010 . 1 . . . . 188 GLN HN . 6786 1 1444 . 1 1 188 188 GLN HA H 1 4.047 0.010 . 1 . . . . 188 GLN HA . 6786 1 1445 . 1 1 188 188 GLN HB2 H 1 1.971 0.010 . 1 . . . . 188 GLN HB . 6786 1 1446 . 1 1 188 188 GLN HB3 H 1 1.971 0.010 . 1 . . . . 188 GLN HB . 6786 1 1447 . 1 1 188 188 GLN C C 13 177.565 0.100 . 1 . . . . 188 GLN C . 6786 1 1448 . 1 1 188 188 GLN CA C 13 58.946 0.100 . 1 . . . . 188 GLN CA . 6786 1 1449 . 1 1 188 188 GLN CB C 13 26.327 0.100 . 1 . . . . 188 GLN CB . 6786 1 1450 . 1 1 188 188 GLN N N 15 123.252 0.100 . 1 . . . . 188 GLN N . 6786 1 1451 . 1 1 189 189 TYR H H 1 7.484 0.010 . 1 . . . . 189 TYR HN . 6786 1 1452 . 1 1 189 189 TYR C C 13 178.498 0.100 . 1 . . . . 189 TYR C . 6786 1 1453 . 1 1 189 189 TYR CA C 13 63.539 0.100 . 1 . . . . 189 TYR CA . 6786 1 1454 . 1 1 189 189 TYR CB C 13 40.091 0.100 . 1 . . . . 189 TYR CB . 6786 1 1455 . 1 1 189 189 TYR N N 15 119.282 0.100 . 1 . . . . 189 TYR N . 6786 1 1456 . 1 1 190 190 LEU H H 1 10.125 0.010 . 1 . . . . 190 LEU HN . 6786 1 1457 . 1 1 190 190 LEU HA H 1 4.130 0.010 . 1 . . . . 190 LEU HA . 6786 1 1458 . 1 1 190 190 LEU HB2 H 1 1.706 0.010 . 1 . . . . 190 LEU HB . 6786 1 1459 . 1 1 190 190 LEU HB3 H 1 1.706 0.010 . 1 . . . . 190 LEU HB . 6786 1 1460 . 1 1 190 190 LEU HD11 H 1 0.859 0.010 . 1 . . . . 190 LEU HD . 6786 1 1461 . 1 1 190 190 LEU HD12 H 1 0.859 0.010 . 1 . . . . 190 LEU HD . 6786 1 1462 . 1 1 190 190 LEU HD13 H 1 0.859 0.010 . 1 . . . . 190 LEU HD . 6786 1 1463 . 1 1 190 190 LEU HD21 H 1 0.859 0.010 . 1 . . . . 190 LEU HD . 6786 1 1464 . 1 1 190 190 LEU HD22 H 1 0.859 0.010 . 1 . . . . 190 LEU HD . 6786 1 1465 . 1 1 190 190 LEU HD23 H 1 0.859 0.010 . 1 . . . . 190 LEU HD . 6786 1 1466 . 1 1 190 190 LEU C C 13 178.659 0.100 . 1 . . . . 190 LEU C . 6786 1 1467 . 1 1 190 190 LEU CA C 13 56.330 0.100 . 1 . . . . 190 LEU CA . 6786 1 1468 . 1 1 190 190 LEU CB C 13 41.602 0.100 . 1 . . . . 190 LEU CB . 6786 1 1469 . 1 1 190 190 LEU CG C 13 26.213 0.100 . 1 . . . . 190 LEU CG . 6786 1 1470 . 1 1 190 190 LEU N N 15 115.204 0.100 . 1 . . . . 190 LEU N . 6786 1 1471 . 1 1 191 191 HIS H H 1 7.660 0.010 . 1 . . . . 191 HIS HN . 6786 1 1472 . 1 1 191 191 HIS HA H 1 4.400 0.010 . 1 . . . . 191 HIS HA . 6786 1 1473 . 1 1 191 191 HIS HB2 H 1 2.687 0.010 . 1 . . . . 191 HIS HB . 6786 1 1474 . 1 1 191 191 HIS HB3 H 1 2.687 0.010 . 1 . . . . 191 HIS HB . 6786 1 1475 . 1 1 191 191 HIS C C 13 176.792 0.100 . 1 . . . . 191 HIS C . 6786 1 1476 . 1 1 191 191 HIS CA C 13 59.152 0.100 . 1 . . . . 191 HIS CA . 6786 1 1477 . 1 1 191 191 HIS CB C 13 32.651 0.100 . 1 . . . . 191 HIS CB . 6786 1 1478 . 1 1 191 191 HIS N N 15 118.360 0.100 . 1 . . . . 191 HIS N . 6786 1 1479 . 1 1 192 192 LYS H H 1 6.862 0.010 . 1 . . . . 192 LYS HN . 6786 1 1480 . 1 1 192 192 LYS HA H 1 3.568 0.010 . 1 . . . . 192 LYS HA . 6786 1 1481 . 1 1 192 192 LYS C C 13 177.012 0.100 . 1 . . . . 192 LYS C . 6786 1 1482 . 1 1 192 192 LYS CA C 13 58.481 0.100 . 1 . . . . 192 LYS CA . 6786 1 1483 . 1 1 192 192 LYS CB C 13 34.380 0.100 . 1 . . . . 192 LYS CB . 6786 1 1484 . 1 1 192 192 LYS CG C 13 26.607 0.100 . 1 . . . . 192 LYS CG . 6786 1 1485 . 1 1 192 192 LYS CD C 13 31.638 0.100 . 1 . . . . 192 LYS CD . 6786 1 1486 . 1 1 192 192 LYS CE C 13 42.744 0.100 . 1 . . . . 192 LYS CE . 6786 1 1487 . 1 1 192 192 LYS N N 15 117.749 0.100 . 1 . . . . 192 LYS N . 6786 1 1488 . 1 1 193 193 ASN H H 1 7.897 0.010 . 1 . . . . 193 ASN HN . 6786 1 1489 . 1 1 193 193 ASN HA H 1 4.703 0.010 . 1 . . . . 193 ASN HA . 6786 1 1490 . 1 1 193 193 ASN C C 13 172.702 0.100 . 1 . . . . 193 ASN C . 6786 1 1491 . 1 1 193 193 ASN CA C 13 50.456 0.100 . 1 . . . . 193 ASN CA . 6786 1 1492 . 1 1 193 193 ASN CB C 13 38.714 0.100 . 1 . . . . 193 ASN CB . 6786 1 1493 . 1 1 193 193 ASN N N 15 114.568 0.100 . 1 . . . . 193 ASN N . 6786 1 1494 . 1 1 194 194 PRO HA H 1 4.419 0.010 . 1 . . . . 194 PRO HA . 6786 1 1495 . 1 1 194 194 PRO C C 13 177.519 0.100 . 1 . . . . 194 PRO C . 6786 1 1496 . 1 1 194 194 PRO CA C 13 64.383 0.100 . 1 . . . . 194 PRO CA . 6786 1 1497 . 1 1 194 194 PRO CB C 13 32.231 0.100 . 1 . . . . 194 PRO CB . 6786 1 1498 . 1 1 194 194 PRO CG C 13 27.506 0.100 . 1 . . . . 194 PRO CG . 6786 1 1499 . 1 1 194 194 PRO CD C 13 50.528 0.100 . 1 . . . . 194 PRO CD . 6786 1 1500 . 1 1 195 195 TYR H H 1 7.711 0.010 . 1 . . . . 195 TYR HN . 6786 1 1501 . 1 1 195 195 TYR HA H 1 4.616 0.010 . 1 . . . . 195 TYR HA . 6786 1 1502 . 1 1 195 195 TYR HB2 H 1 3.287 0.010 . 1 . . . . 195 TYR HB2 . 6786 1 1503 . 1 1 195 195 TYR HB3 H 1 2.276 0.010 . 1 . . . . 195 TYR HB3 . 6786 1 1504 . 1 1 195 195 TYR C C 13 177.191 0.100 . 1 . . . . 195 TYR C . 6786 1 1505 . 1 1 195 195 TYR CA C 13 57.139 0.100 . 1 . . . . 195 TYR CA . 6786 1 1506 . 1 1 195 195 TYR CB C 13 37.915 0.100 . 1 . . . . 195 TYR CB . 6786 1 1507 . 1 1 195 195 TYR N N 15 116.483 0.100 . 1 . . . . 195 TYR N . 6786 1 1508 . 1 1 196 196 GLY H H 1 7.702 0.010 . 1 . . . . 196 GLY HN . 6786 1 1509 . 1 1 196 196 GLY HA2 H 1 4.142 0.010 . 1 . . . . 196 GLY HA1 . 6786 1 1510 . 1 1 196 196 GLY HA3 H 1 3.353 0.010 . 1 . . . . 196 GLY HA2 . 6786 1 1511 . 1 1 196 196 GLY C C 13 172.101 0.100 . 1 . . . . 196 GLY C . 6786 1 1512 . 1 1 196 196 GLY CA C 13 45.808 0.100 . 1 . . . . 196 GLY CA . 6786 1 1513 . 1 1 196 196 GLY N N 15 108.529 0.100 . 1 . . . . 196 GLY N . 6786 1 1514 . 1 1 197 197 TYR H H 1 7.875 0.010 . 1 . . . . 197 TYR HN . 6786 1 1515 . 1 1 197 197 TYR HA H 1 3.842 0.010 . 1 . . . . 197 TYR HA . 6786 1 1516 . 1 1 197 197 TYR C C 13 177.051 0.100 . 1 . . . . 197 TYR C . 6786 1 1517 . 1 1 197 197 TYR CA C 13 59.479 0.100 . 1 . . . . 197 TYR CA . 6786 1 1518 . 1 1 197 197 TYR CB C 13 39.314 0.100 . 1 . . . . 197 TYR CB . 6786 1 1519 . 1 1 197 197 TYR N N 15 120.006 0.100 . 1 . . . . 197 TYR N . 6786 1 1520 . 1 1 201 201 GLY C C 13 174.920 0.100 . 1 . . . . 201 GLY C . 6786 1 1521 . 1 1 201 201 GLY CA C 13 45.660 0.100 . 1 . . . . 201 GLY CA . 6786 1 1522 . 1 1 202 202 GLY H H 1 8.144 0.010 . 1 . . . . 202 GLY HN . 6786 1 1523 . 1 1 202 202 GLY C C 13 174.630 0.100 . 1 . . . . 202 GLY C . 6786 1 1524 . 1 1 202 202 GLY CA C 13 45.994 0.100 . 1 . . . . 202 GLY CA . 6786 1 1525 . 1 1 202 202 GLY N N 15 108.438 0.100 . 1 . . . . 202 GLY N . 6786 1 1526 . 1 1 203 203 ILE H H 1 7.996 0.010 . 1 . . . . 203 ILE HN . 6786 1 1527 . 1 1 203 203 ILE HA H 1 4.199 0.010 . 1 . . . . 203 ILE HA . 6786 1 1528 . 1 1 203 203 ILE C C 13 177.372 0.100 . 1 . . . . 203 ILE C . 6786 1 1529 . 1 1 203 203 ILE CA C 13 61.660 0.100 . 1 . . . . 203 ILE CA . 6786 1 1530 . 1 1 203 203 ILE CB C 13 38.802 0.100 . 1 . . . . 203 ILE CB . 6786 1 1531 . 1 1 203 203 ILE CG1 C 13 27.740 0.100 . 1 . . . . 203 ILE CG1 . 6786 1 1532 . 1 1 203 203 ILE N N 15 119.317 0.100 . 1 . . . . 203 ILE N . 6786 1 1533 . 1 1 204 204 GLY H H 1 8.395 0.010 . 1 . . . . 204 GLY HN . 6786 1 1534 . 1 1 204 204 GLY C C 13 174.318 0.100 . 1 . . . . 204 GLY C . 6786 1 1535 . 1 1 204 204 GLY CA C 13 46.001 0.100 . 1 . . . . 204 GLY CA . 6786 1 1536 . 1 1 204 204 GLY N N 15 112.132 0.100 . 1 . . . . 204 GLY N . 6786 1 1537 . 1 1 205 205 VAL H H 1 7.793 0.010 . 1 . . . . 205 VAL HN . 6786 1 1538 . 1 1 205 205 VAL HA H 1 4.127 0.010 . 1 . . . . 205 VAL HA . 6786 1 1539 . 1 1 205 205 VAL C C 13 176.401 0.100 . 1 . . . . 205 VAL C . 6786 1 1540 . 1 1 205 205 VAL CA C 13 62.245 0.100 . 1 . . . . 205 VAL CA . 6786 1 1541 . 1 1 205 205 VAL CB C 13 33.463 0.100 . 1 . . . . 205 VAL CB . 6786 1 1542 . 1 1 205 205 VAL N N 15 118.278 0.100 . 1 . . . . 205 VAL N . 6786 1 1543 . 1 1 206 206 SER H H 1 8.321 0.010 . 1 . . . . 206 CYS HN . 6786 1 1544 . 1 1 206 206 SER HA H 1 4.456 0.010 . 1 . . . . 206 CYS HA . 6786 1 1545 . 1 1 206 206 SER HB2 H 1 4.125 0.010 . 1 . . . . 206 CYS HB . 6786 1 1546 . 1 1 206 206 SER HB3 H 1 4.125 0.010 . 1 . . . . 206 CYS HB . 6786 1 1547 . 1 1 206 206 SER C C 13 174.378 0.100 . 1 . . . . 206 CYS C . 6786 1 1548 . 1 1 206 206 SER CA C 13 58.191 0.100 . 1 . . . . 206 CYS CA . 6786 1 1549 . 1 1 206 206 SER CB C 13 64.360 0.100 . 1 . . . . 206 CYS CB . 6786 1 1550 . 1 1 206 206 SER N N 15 120.175 0.100 . 1 . . . . 206 CYS N . 6786 1 1551 . 1 1 207 207 LEU H H 1 7.994 0.010 . 1 . . . . 207 LEU HN . 6786 1 1552 . 1 1 207 207 LEU CA C 13 52.471 0.100 . 1 . . . . 207 LEU CA . 6786 1 1553 . 1 1 207 207 LEU CB C 13 44.190 0.100 . 1 . . . . 207 LEU CB . 6786 1 1554 . 1 1 207 207 LEU N N 15 123.602 0.100 . 1 . . . . 207 LEU N . 6786 1 1555 . 1 1 209 209 PRO C C 13 177.251 0.100 . 1 . . . . 209 PRO C . 6786 1 1556 . 1 1 209 209 PRO CA C 13 63.285 0.100 . 1 . . . . 209 PRO CA . 6786 1 1557 . 1 1 209 209 PRO CB C 13 32.651 0.100 . 1 . . . . 209 PRO CB . 6786 1 1558 . 1 1 209 209 PRO CG C 13 28.015 0.100 . 1 . . . . 209 PRO CG . 6786 1 1559 . 1 1 209 209 PRO CD C 13 50.987 0.100 . 1 . . . . 209 PRO CD . 6786 1 1560 . 1 1 210 210 GLU H H 1 8.395 0.010 . 1 . . . . 210 GLU HN . 6786 1 1561 . 1 1 210 210 GLU HA H 1 4.129 0.010 . 1 . . . . 210 GLU HA . 6786 1 1562 . 1 1 210 210 GLU HB2 H 1 1.900 0.010 . 1 . . . . 210 GLU HB . 6786 1 1563 . 1 1 210 210 GLU HB3 H 1 1.900 0.010 . 1 . . . . 210 GLU HB . 6786 1 1564 . 1 1 210 210 GLU HG2 H 1 2.214 0.010 . 1 . . . . 210 GLU HG . 6786 1 1565 . 1 1 210 210 GLU HG3 H 1 2.214 0.010 . 1 . . . . 210 GLU HG . 6786 1 1566 . 1 1 210 210 GLU C C 13 175.740 0.100 . 1 . . . . 210 GLU C . 6786 1 1567 . 1 1 210 210 GLU CA C 13 56.990 0.100 . 1 . . . . 210 GLU CA . 6786 1 1568 . 1 1 210 210 GLU CB C 13 30.726 0.100 . 1 . . . . 210 GLU CB . 6786 1 1569 . 1 1 210 210 GLU CG C 13 36.741 0.100 . 1 . . . . 210 GLU CG . 6786 1 1570 . 1 1 210 210 GLU N N 15 121.230 0.100 . 1 . . . . 210 GLU N . 6786 1 1571 . 1 1 211 211 ALA H H 1 7.822 0.010 . 1 . . . . 211 ALA HN . 6786 1 1572 . 1 1 211 211 ALA HA H 1 4.016 0.010 . 1 . . . . 211 ALA HA . 6786 1 1573 . 1 1 211 211 ALA HB1 H 1 1.260 0.010 . 1 . . . . 211 ALA HB . 6786 1 1574 . 1 1 211 211 ALA HB2 H 1 1.260 0.010 . 1 . . . . 211 ALA HB . 6786 1 1575 . 1 1 211 211 ALA HB3 H 1 1.260 0.010 . 1 . . . . 211 ALA HB . 6786 1 1576 . 1 1 211 211 ALA C C 13 182.818 0.100 . 1 . . . . 211 ALA C . 6786 1 1577 . 1 1 211 211 ALA CA C 13 54.049 0.100 . 1 . . . . 211 ALA CA . 6786 1 1578 . 1 1 211 211 ALA CB C 13 20.991 0.100 . 1 . . . . 211 ALA CB . 6786 1 1579 . 1 1 211 211 ALA N N 15 130.591 0.100 . 1 . . . . 211 ALA N . 6786 1 stop_ save_